13-cis-Acitretin

CAS Registry Number®

69427-46-9
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CAS Name

13-cis-Acitretin

Molecular Formula

C21H26O3

Molecular Mass

326.43

Cite this Page

13-cis-Acitretin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69427-46-9 (retrieved 2024-05-18) (CAS RN: 69427-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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