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Substance Name: 14-(4-Nitrobenzoyloxy)yohimbine
RN: 109460-90-4
InChIKey: ZDOVTMRFXLKGQV-IZUVYGNBSA-N

Molecular Formula

  • C28-H29-N3-O7

Molecular Weight

  • 519.5511
 
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Names and Synonyms

Name of Substance

  • 14-(4-Nitrobenzoyloxy)yohimbine

Synonyms

  • 14-Nbo-yohimbine
  • 14beta-(4-Nitrobenzoyloxy)yohimbine

Systematic Name

  • Yohimban-16-carboxylic acid, 17-hydroxy-14-((4-nitrobenzoyl)oxy)-, methyl ester, (14beta,16alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 109460-90-4

System Generated Number

  • 0109460904

Structure Descriptors

InChI

1S/C28H29N3O7/c1-37-28(34)23-21(32)11-8-16-14-30-13-12-19-18-4-2-3-5-20(18)29-24(19)25(30)26(22(16)23)38-27(33)15-6-9-17(10-7-15)31(35)36/h2-7,9-10,16,21-23,25-26,29,32H,8,11-14H2,1H3/t16-,21-,22-,23-,25+,26+/m0/s1

InChIKey

ZDOVTMRFXLKGQV-IZUVYGNBSA-N

Smiles

COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@H]([C@H]3c4c(c5ccccc5[nH]4)CCN3C2)OC(=O)c6ccc(cc6)[N+](=O)[O-])O