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Substance Name: Methyl azafrinate
RN: 1256-21-9
UNII: 190U50SK9U
InChIKey: WTALGWBKIVKKSF-PYPFVGEKSA-N

Molecular Formula

  • C28-H40-O4

Molecular Weight

  • 440.62
 
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Names and Synonyms

Name of Substance

  • Methyl azafrinate

Synonyms

  • 10'-Apo-beta,psi-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, methyl ester, (5R,6R)-
  • Azafrin methyl ester
  • Azafrin methyl ester [MI]
  • Methyl azafrinate
  • UNII-190U50SK9U

Registry Numbers

CAS Registry Number

  • 1256-21-9

FDA UNII

  • 190U50SK9U

System Generated Number

  • 0001256219

Structure Descriptors

InChI

1S/C28H40O4/c1-22(12-8-9-13-23(2)16-17-25(29)32-7)14-10-15-24(3)18-21-28(31)26(4,5)19-11-20-27(28,6)30/h8-10,12-18,21,30-31H,11,19-20H2,1-7H3/b9-8+,14-10+,17-16+,21-18+,22-12+,23-13+,24-15+/t27-,28-/m1/s1

InChIKey

WTALGWBKIVKKSF-PYPFVGEKSA-N

Smiles

C/C(=C\C=C\C=C(/C)\C=C\C(=O)OC)/C=C/C=C(\C)/C=C/[C@@]1([C@](CCCC1(C)C)(C)O)O