CAS Registry Number®
4759-48-2
CAS Name
Isotretinoin
Molecular Formula
C20H28O2
Molecular Mass
300.44
Compound Properties
-
Melting Point (1)
174-175 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C2H4.18CH4.2H2O/c1-2;;;;;;;;;;;;;;;;;;;;/h1-2H2;18*1H4;2*1H2
InChIKey
InChIKey=YBNYBKXKMRHTKO-UHFFFAOYSA-N
SMILES
C(=CC(=CC=CC(=CC(O)=O)C)C)C=1C(C)(C)CCCC1C
Canonical SMILES
O=C(O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
Other Names for this Substance
- Retinoic acid, 13-cis–
- 13-cis-Retinoic acid
- Neovitamin A acid
- 13-cis-Vitamin A acid
- Ro 4-3780
- 13-cis-β-Retinoic acid
- Isotretinoin
- (13Z)-Retinoic acid
- Accutane
- Roaccutane
- AGN 190013
- Roaccutan
- Accure
- 13-RA
- Isotrex
- IsotrexGel
- cis-Retinoic acid
- Absorica
- Amnesteem
- Claravis
- Roacutan
- MeSH ID: D015474
