Etretinate

CAS Registry Number®

54350-48-0

CAS Name

Etretinate

Molecular Formula

C23H30O3

Molecular Mass

354.48

Cite this Page

Etretinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54350-48-0 (retrieved 2024-11-25) (CAS RN: 54350-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104-105 °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/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+

InChIKey

InChIKey=HQMNCQVAMBCHCO-DJRRULDNSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C(OCC)=O)/C)/C)\C1=C(C)C(C)=C(OC)C=C1C

Canonical SMILES

O=C(OCC)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-, ethyl ester, (2E,4E,6E,8E)-
  • 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (all-E)-
  • Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate
  • Ro 10-9359
  • Etretinate

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Deleted or Replaced CAS Registry Numbers

71833-61-9

CAS INSIGHTSTM
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