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Substance Name: 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (Z,E,E,E)-
RN: 69427-41-4
InChIKey: HQMNCQVAMBCHCO-RAZVQKLASA-N

Molecular Formula

  • C23-H30-O3

Molecular Weight

  • 354.487
 
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Names and Synonyms

Synonyms

  • 13-cis-Etretinate
  • Ethyl (13-cis)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate
  • Ro 13-7837

Systematic Name

  • 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (Z,E,E,E)-

Registry Numbers

CAS Registry Number

  • 69427-41-4

System Generated Number

  • 0069427414

Structure Descriptors

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

HQMNCQVAMBCHCO-RAZVQKLASA-N

Smiles

C(\C=C(/C=C/C=C(/C=C/c1c(c(c(cc1C)OC)C)C)C)C)(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 4gm/kg (4000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 10, Pg. 5033, 1982.