ChemicalBook--->CAS DataBase List--->69427-46-9

69427-46-9

69427-46-9 Structure

69427-46-9 Structure
IdentificationBack Directory
[Name]

13-CIS-ACITRETIN
[CAS]

69427-46-9
[Synonyms]

Isoetretin
Ro-13-7652
Isoacitretin
13-CIS-ETRETIN
13-cis-acitretin
Acitretin Related CoMpound A
(2Z,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(2Z,4E,6E,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
(2Z,4E,6Z,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoicAcid,13-cis-Etretin,Isoacitretin,Isoetretin,
Acitretin Related Compound A (20 mg) ((2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid)
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic Acid, 13-cis-Etretin, Isoacitretin, Isoetretin, Ro 13-7652
[Molecular Formula]

C21H26O3
[MDL Number]

MFCD00870444
[MOL File]

69427-46-9.mol
[Molecular Weight]

326.433
Chemical PropertiesBack Directory
[Appearance]

Yellow Solid
[Melting point ]

190-193°C
[Boiling point ]

521.3±38.0 °C(Predicted)
[density ]

1.051±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -80°C Freezer
[solubility ]

Chloroform (Slightly)
[form ]

neat
[pka]

4.75±0.33(Predicted)
[Stability:]

Light Sensitive, Temperature Sensitive
[Major Application]

pharmaceutical (small molecule)
[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]

IHUNBGSDBOWDMA-UGOGCBOOSA-N
[SMILES]

O(C)c1c(c(c(c(c1)C)\C=C\C(=C\C=C\C(=C/C(=O)O)\C)\C)C)C
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

A synthetic retinoid which is the major metabolite of etretinate (E938000).
[Definition]

ChEBI: 2Z-acitretin is an acitretin.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2918992090
[Storage Class]

11 - Combustible Solids
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