Phenanthrenes and derivatives
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Phenanthrenes and derivatives
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Filtered Search Results
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Fullerene C60 99.0+%, TCI America™
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CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C60-Ih)[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
PubChem CID | 123591 |
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CAS | 99685-96-8 |
Molecular Weight (g/mol) | 720.66 |
ChEBI | CHEBI:33128 |
MDL Number | MFCD00151408 |
SMILES | C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41 |
Synonym | fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih |
IUPAC Name | (C60-Ih)[5,6]fullerene |
InChI Key | XMWRBQBLMFGWIX-UHFFFAOYSA-N |
Molecular Formula | C60 |
Aristolochic acid, 96%, mixture of I and II, Thermo Scientific Chemicals
CAS: 313-67-7 Molecular Formula: C17H11NO7 Molecular Weight (g/mol): 341.27 MDL Number: MFCD00004996 InChI Key: BBFQZRXNYIEMAW-UHFFFAOYSA-N Synonym: aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t PubChem CID: 2236 ChEBI: CHEBI:2825 SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
PubChem CID | 2236 |
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CAS | 313-67-7 |
Molecular Weight (g/mol) | 341.27 |
ChEBI | CHEBI:2825 |
MDL Number | MFCD00004996 |
SMILES | COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O |
Synonym | aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t |
InChI Key | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
Molecular Formula | C17H11NO7 |
3-(Diphenylamino)dibenzo[g,p]chrysene 97.0+%, TCI America™
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CAS: 1397202-77-5 Molecular Formula: C38H25N Molecular Weight (g/mol): 495.625 InChI Key: UNHRFJSSMJBBLW-UHFFFAOYSA-N Synonym: 3-DPADBC PubChem CID: 44629943 SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84
PubChem CID | 44629943 |
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CAS | 1397202-77-5 |
Molecular Weight (g/mol) | 495.625 |
SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84 |
Synonym | 3-DPADBC |
InChI Key | UNHRFJSSMJBBLW-UHFFFAOYSA-N |
Molecular Formula | C38H25N |
2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate 95.0+%, TCI America™
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CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.288 MDL Number: MFCD01321170 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O
PubChem CID | 11088610 |
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CAS | 4877-80-9 |
Molecular Weight (g/mol) | 324.288 |
MDL Number | MFCD01321170 |
SMILES | C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O |
Synonym | 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene |
IUPAC Name | triphenylene-2,3,6,7,10,11-hexol |
InChI Key | QMLILIIMKSKLES-UHFFFAOYSA-N |
Molecular Formula | C18H12O6 |
Violanthrone 79 95.0+%, TCI America™
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CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC
PubChem CID | 16217791 |
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CAS | 85652-50-2 |
Molecular Weight (g/mol) | 712.93 |
MDL Number | MFCD00491570 |
SMILES | CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC |
Synonym | violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione |
InChI Key | LLPQZABTDLOYAL-UHFFFAOYSA-N |
Molecular Formula | C50H48O4 |
Carnosic Acid 97.0+%, TCI America™
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CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
PubChem CID | 65126 |
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CAS | 3650-09-7 |
Molecular Weight (g/mol) | 332.44 |
ChEBI | CHEBI:65585 |
MDL Number | MFCD02259459 |
SMILES | CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O |
Synonym | (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid |
IUPAC Name | (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid |
InChI Key | QRYRORQUOLYVBU-VBKZILBWSA-N |
Molecular Formula | C20H28O4 |
[6,6]-Phenyl-C61-butyric Acid Dodecyl Ester 98.0+%, TCI America™
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CAS: 571177-69-0 Molecular Formula: C83H36O2 Synonym: [60]PCB-C12
CAS | 571177-69-0 |
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Synonym | [60]PCB-C12 |
Molecular Formula | C83H36O2 |
4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 1115639-92-3 Molecular Formula: C30H27BO2 Molecular Weight (g/mol): 430.35 MDL Number: MFCD28130383 InChI Key: NZTBACVVLACPNL-UHFFFAOYSA-N Synonym: 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triphenylene PubChem CID: 58489416 IUPAC Name: 4,4,5,5-tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
PubChem CID | 58489416 |
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CAS | 1115639-92-3 |
Molecular Weight (g/mol) | 430.35 |
MDL Number | MFCD28130383 |
SMILES | CC1(C)OB(OC1(C)C)C1=CC(=CC=C1)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1 |
Synonym | 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triphenylene |
IUPAC Name | 4,4,5,5-tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane |
InChI Key | NZTBACVVLACPNL-UHFFFAOYSA-N |
Molecular Formula | C30H27BO2 |
Sodium Abietate 95.0+%, TCI America™
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CAS: 14351-66-7 Molecular Formula: C20H29NaO2 Molecular Weight (g/mol): 324.44 MDL Number: MFCD00058941 InChI Key: ITCAUAYQCALGGV-XTICBAGASA-M Synonym: Abietic Acid Sodium Salt PubChem CID: 133121851 IUPAC Name: sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1
PubChem CID | 133121851 |
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CAS | 14351-66-7 |
Molecular Weight (g/mol) | 324.44 |
MDL Number | MFCD00058941 |
SMILES | [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1 |
Synonym | Abietic Acid Sodium Salt |
IUPAC Name | sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate |
InChI Key | ITCAUAYQCALGGV-XTICBAGASA-M |
Molecular Formula | C20H29NaO2 |
Hypericin, 98%, Thermo Scientific Chemicals
CAS: 548-04-9 Molecular Formula: C30H16O8 Molecular Weight (g/mol): 504.45 MDL Number: MFCD00016683 InChI Key: BTXNYTINYBABQR-UHFFFAOYSA-N Synonym: hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn PubChem CID: 5281051 ChEBI: CHEBI:5835 SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O
PubChem CID | 5281051 |
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CAS | 548-04-9 |
Molecular Weight (g/mol) | 504.45 |
ChEBI | CHEBI:5835 |
MDL Number | MFCD00016683 |
SMILES | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O |
Synonym | hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn |
InChI Key | BTXNYTINYBABQR-UHFFFAOYSA-N |
Molecular Formula | C30H16O8 |
C60MC12 97.0+%, TCI America™
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CAS: 403483-19-2 Molecular Formula: C81H35N Molecular Weight (g/mol): 1022.178 InChI Key: YDAHEEMFHYNKKQ-UHFFFAOYSA-N Synonym: C60-fused N-Methylpyrrolidine-m-C12-phenyl PubChem CID: 53384414 SMILES: CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C
PubChem CID | 53384414 |
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CAS | 403483-19-2 |
Molecular Weight (g/mol) | 1022.178 |
SMILES | CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C |
Synonym | C60-fused N-Methylpyrrolidine-m-C12-phenyl |
InChI Key | YDAHEEMFHYNKKQ-UHFFFAOYSA-N |
Molecular Formula | C81H35N |
Pisiferic Acid 98.0+%, TCI America™
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CAS: 67494-15-9 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.441 MDL Number: MFCD01708794 InChI Key: ATHWSPHADLLZSS-PXNSSMCTSA-N PubChem CID: 162209 ChEBI: CHEBI:70576 IUPAC Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O
PubChem CID | 162209 |
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CAS | 67494-15-9 |
Molecular Weight (g/mol) | 316.441 |
ChEBI | CHEBI:70576 |
MDL Number | MFCD01708794 |
SMILES | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O |
IUPAC Name | (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid |
InChI Key | ATHWSPHADLLZSS-PXNSSMCTSA-N |
Molecular Formula | C20H28O3 |
Violanthrone-79, 98%, Thermo Scientific Chemicals
CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC
PubChem CID | 16217791 |
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CAS | 85652-50-2 |
Molecular Weight (g/mol) | 712.93 |
MDL Number | MFCD00491570 |
SMILES | CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC |
Synonym | violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione |
InChI Key | LLPQZABTDLOYAL-UHFFFAOYSA-N |
Molecular Formula | C50H48O4 |
Coronene (purified by sublimation) 98.0+%, TCI America™
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CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
PubChem CID | 9115 |
---|---|
CAS | 191-07-1 |
Molecular Weight (g/mol) | 300.36 |
ChEBI | CHEBI:29863 |
MDL Number | MFCD00004134 |
SMILES | C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61 |
Synonym | hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul |
IUPAC Name | coronene |
InChI Key | VPUGDVKSAQVFFS-UHFFFAOYSA-N |
Molecular Formula | C24H12 |
(+)-Dehydroabietylamine hydrochloride, Thermo Scientific Chemicals
CAS: 16496-99-4 Molecular Formula: C20H32ClN Molecular Weight (g/mol): 321.93 MDL Number: MFCD06795849 InChI Key: CVPQLGCAWUAYPF-UHFFFAOYNA-N Synonym: leelamine hydrochloride,dehydroabiethylamine hydrochloride,+-dehydroabietylamine,lylamine hydrochloride,nsc 2955 hydrochloride,+-dehydroabietylamine hydrochloride,+-dehydroabiethylamine hydrochloride,abieta-8,11,13-trien-18-amine-hydrogen chloride 1/1,13-isopropyl-podocarpa-8,11,13-trien-15-amine hydrochloride,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine hydrochloride PubChem CID: 16759156 IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrochloride SMILES: Cl.CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(CN)C1CC2
PubChem CID | 16759156 |
---|---|
CAS | 16496-99-4 |
Molecular Weight (g/mol) | 321.93 |
MDL Number | MFCD06795849 |
SMILES | Cl.CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(CN)C1CC2 |
Synonym | leelamine hydrochloride,dehydroabiethylamine hydrochloride,+-dehydroabietylamine,lylamine hydrochloride,nsc 2955 hydrochloride,+-dehydroabietylamine hydrochloride,+-dehydroabiethylamine hydrochloride,abieta-8,11,13-trien-18-amine-hydrogen chloride 1/1,13-isopropyl-podocarpa-8,11,13-trien-15-amine hydrochloride,1r,4as,10ar-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl methanamine hydrochloride |
IUPAC Name | [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;hydrochloride |
InChI Key | CVPQLGCAWUAYPF-UHFFFAOYNA-N |
Molecular Formula | C20H32ClN |