![Isoacitretin[异阿维A]](https://newcny.com/wp-content/uploads/2024/07/69427-46-9.svg)
CAS Registry Number®
69427-46-9
CAS Name
13-cis-Acitretin
Molecular Formula
C21H26O3
Molecular Mass
326.43
Compound Properties
-
Melting Point (1)
182-183 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
InChIKey
InChIKey=IHUNBGSDBOWDMA-UGOGCBOOSA-N
SMILES
C(=C/C(=C/C=C/C(=C\C(O)=O)/C)/C)\C1=C(C)C(C)=C(OC)C=C1C
Canonical SMILES
O=C(O)C=C(C=CC=C(C=CC=1C(=CC(OC)=C(C1C)C)C)C)C
Other Names for this Substance
- 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2Z,4E,6E,8E)-
- 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (Z,E,E,E)-
- (2Z,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
- Ro 13-7652
- 13-cis-Etretin
- Isoetretin
- 13-cis-Acitretin
- Isoacitretin
