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Substance Name: Methyl retinoate
RN: 339-16-2
UNII: WS76I7L4S7
InChIKey: SREQLAJQLXPNMC-DXYSAURFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-O2

Molecular Weight

  • 314.466
 
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Names and Synonyms

Name of Substance

  • Methyl retinoate

Synonyms

  • 4-09-00-02387 (Beilstein Handbook Reference)
  • all-trans-Methylretinoate
  • beta-Retinoic acid methyl ester
  • BRN 2059353
  • Methyl retinoate
  • Ro 4-3781
  • UNII-WS76I7L4S7
  • Vitamin A acid methyl ester
  • Vitamin A-Saeuremethylester
  • Vitamin A-Saeuremethylester [German]

Systematic Names

  • Retinoic acid, methyl ester
  • Retinoic acid, methyl ester, all-trans- (8CI)

Registry Numbers

CAS Registry Number

  • 339-16-2

FDA UNII

  • WS76I7L4S7

System Generated Number

  • 0000339162

Structure Descriptors

InChI

1S/C21H30O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+

InChIKey

SREQLAJQLXPNMC-DXYSAURFSA-N

Smiles

COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 300mg/kg (300mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 213, 1984.
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2128462,