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Substance Name: Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate,salt with oxalic acid
RN: 94108-65-3
InChIKey: XIIDGINYXKOJGX-ZKKXXTDSSA-N

Molecular Formula

  • C21-H26-N2-O3.x-C2-H2-O4

Molecular Weight

  • 444.4812
 
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Names and Synonyms

Synonym

  • EINECS 302-405-0

Systematic Name

  • Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate,salt with oxalic acid

Registry Numbers

CAS Registry Number

  • 94108-65-3

System Generated Number

  • 0094108653

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O3.x-C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H26-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O3.C2H2O4/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;3-1(4)2(5)6/h2-5,12,15,17-19,22,24H,6-11H2,1H3;(H,3,4)(H,5,6)/t12-,15+,17+,18+,19+;/m1./s1

InChIKey

XIIDGINYXKOJGX-ZKKXXTDSSA-N

Smiles

c12c(c3c([nH]1)cccc3)CCN1[C@H]2C[C@@H]2[C@H](C(=O)OC)[C@H](CC[C@@H]2C1)O.C(=O)(C(=O)O)O