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Substance Name: Raunescine nitrate
RN: 6159-98-4
UNII: 9VAD70P1F3
InChIKey: GCMJKUFVHLQJEJ-HZGKCDBDSA-N

Molecular Formula

  • C31-H36-N2-O8.H2-N-O3

Molecular Weight

  • 628.6512
 
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Names and Synonyms

Name of Substance

  • Raunescine nitrate

Synonyms

  • (3beta,16beta,17alpha,18beta,20alpha)-17-Hydroxy-18-((3,4,5-trimethoxybenzoyl)oxy)-yohimban-16-carboxylic acid methyl ester, nitrate
  • Raunescine nitrate
  • Raunescine nitrate [MI]
  • UNII-9VAD70P1F3
  • Yohimban-16-carboxylic acid, 17-hydroxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, mononitrate (salt)

Registry Numbers

CAS Registry Number

  • 6159-98-4

FDA UNII

  • 9VAD70P1F3

System Generated Number

  • 0006159984

Structure Descriptors

InChI

1S/C31H36N2O8.H2NO3/c1-37-24-11-16(12-25(38-2)29(24)39-3)30(35)41-23-13-17-15-33-10-9-19-18-7-5-6-8-21(18)32-27(19)22(33)14-20(17)26(28(23)34)31(36)40-4;2-1(3)4/h5-8,11-12,17,20,22-23,26,28,32,34H,9-10,13-15H2,1-4H3;(H2,2,3,4)/q;+1/t17-,20+,22-,23-,26+,28+;/m1./s1

InChIKey

GCMJKUFVHLQJEJ-HZGKCDBDSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c6ccccc6[nH]c5[C@H]4C[C@@H]3[C@@H]([C@H]2O)C(=O)OC.[N+](=O)(O)O