Isotretinoin

CAS Registry Number®

4759-48-2
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CAS Name

Isotretinoin

Molecular Formula

C20H28O2

Molecular Mass

300.44

Cite this Page

Isotretinoin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=4759-48-2 (retrieved 2024-04-23) (CAS RN: 4759-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-

InChIKey

InChIKey=SHGAZHPCJJPHSC-XFYACQKRSA-N

SMILES

C(=C/C(=C/C=C/C(=C\C(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

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