Isotretinoin anisatil

Base Information

• Chemical Name: Isotretinoin anisatil
• CAS No.: 127471-94-7
• Deprecated CAS: 403849-94-5
• Molecular Formula: C29H36 O4
• Molecular Weight: 448.5937
• European Community (EC) Number: 826-246-6
• UNII: 922SI67369
• ChEMBL ID: CHEMBL2107427
• DSSTox Substance ID: DTXSID901021797
• NCI Thesaurus Code: C175099
• Wikidata: Q27271459
• Mol file: 127471-94-7.mol

Synonyms:Isotretinoin anisatil;127471-94-7;Hydroxyanasatil retinoate;Isotretinoin anisatil [USAN];Granactive retexture c;GR 116526X;p-Methoxyphenacyl 13-cis-retinoate;GR-116526X;[2-(4-methoxyphenyl)-2-oxoethyl] (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate;922SI67369;Isotretinoin anisatil (USAN);(2Z,4E,6E,8E)-2-(4-Methoxyphenyl)-2-oxoethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate;Retinoic acid, 1-2-(4-methoxyphenyl)-2-oxoethyl ester, 13-cis-;UNII-922SI67369;CHEMBL2107427;SCHEMBL14161050;MDI 403;DTXSID901021797;AKOS022172936;ISOTRETINOIN ANISATIL [WHO-DD];HYDROXYANASATIL RETINOATE [INCI];D04636;Q27271459;Retinoic acid,2-(4-methoxyphenyl)-2-oxoethyl ester,13-cis-;(2Z,4E,6E,8E)-2-(4-Methoxyphenyl)-2-oxoethyl3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate

Chemical Property of Isotretinoin anisatil

Chemical Property:

• Vapor Pressure: 4.08E-14mmHg at 25°C
• Boiling Point: 594.8°Cat760mmHg
• Flash Point: 251.2°C
• PSA: 52.60000
• Density: 1.061g/cm³
• LogP: 6.95270
• Storage Temp.: 2-8°C
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 448.26135963
• Heavy Atom Count: 33
• Complexity: 843

Purity/Quality:

99%min ^*data from raw suppliers

(2Z,4E,6E,8E)-2-(4-Methoxyphenyl)-2-oxoethyl3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC(=O)C2=CC=C(C=C2)OC)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)OCC(=O)C2=CC=C(C=C2)OC)/C)/C
• Uses: Anti-acne.