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Substance Name: 3,4-Didehydroretinoic acid
RN: 4159-20-0
InChIKey: SYESMXTWOAQFET-YCNIQYBTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-O2

Molecular Weight

  • 298.423
 
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Names and Synonyms

Name of Substance

  • 3,4-Didehydroretinoic acid

Synonyms

  • 3,4-Didehydroretinoic acid
  • Ro 8-7057
  • Vitamin A2 acid
  • Vitamin A2 saeure
  • Vitamin A2 saeure [German]

Systematic Names

  • 3-Dehydroretinoic acid (6CI,7CI)
  • Retinoic acid, 3,4-didehydro-

Registry Numbers

CAS Registry Number

  • 4159-20-0

System Generated Number

  • 0004159200

Structure Descriptors

InChI

1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

InChIKey

SYESMXTWOAQFET-YCNIQYBTSA-N

Smiles

C1C=CC(=C(C1(C)C)\C=C\C(=C\C=C\C(=C\C(O)=O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2128462,