Basic information
- Standard SMILES
COc1cc(C)c(C=CC(C)=CC=CC(C)=CC(=O)O)c(C)c1C- InChIKey
IHUNBGSDBOWDMA-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- 9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
- IUPAC
- 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
- English name
- 9-cis Acitretin
- Molecular formula
- C21H26O3
- Molecular weight
- 326.43
Names & synonyms
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid419534-31-99-cis-Acitretin9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acidIsoacitretin;Ro 13-76529-cisAcitretin13-cisAcitretin2,4,6,8-Nonatetraenoicacid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2Z,4E,6E,8E)-orb1224698SCHEMBL2280089CHEMBL3186098SCHEMBL29883491
Show more names
9-cis Acitretin9-cis-avermectinAcitretin Impurity 199-cis Acitretin 9-cis AcitretinAcitretin ImpuritⅡ:9-cis AcitretinAcitretin Impurity 9 (9-cis-Acitretin)(2E,4E,6Z,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl- 2,4,6,8-nonatetraenoic Acid2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2E,4E,6Z,8E)-
DTXSID10860677IHUNBGSDBOWDMA-UHFFFAOYSA-NHMS3370M03HMS3654J19HMS3744I21SSB63053AKOS030228521AB07538
Database identifiers
- CAS
419534-31-9、54757-46-9- PubChem CID
- 41317
- DTXSID
DTXSID10860677- ChEMBL
CHEMBL3186098
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Light Yellow
Chemistry & industry
Applications
UsesA geometrical isomer of Acitretin
Suppliers20 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
大赛璐药物手性技术(上海)有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
四川普西奥标物科技有限公司19150123681 · [email protected]
Related reactions
12 records
Linked notes
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