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Substance Name: 1-Methylyohimbine
RN: 5057-80-7
InChIKey: WJMMXLIYALYDFB-HXBJQTCSSA-N

Molecular Formula

  • C22-H28-N2-O3.H-I

Molecular Weight

  • 496.3821
 
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Names and Synonyms

Name of Substance

  • 1-Methylyohimbine

Systematic Name

  • Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 5057-80-7

System Generated Number

  • 0005057807

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3.H-I

Molecular Formula Fragments

  • C22-H28-N2-O3
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C22H28N2O3.HI/c1-23-17-6-4-3-5-14(17)15-9-10-24-12-13-7-8-19(25)20(22(26)27-2)16(13)11-18(24)21(15)23;/h3-6,13,16,18-20,25H,7-12H2,1-2H3;1H/t13-,16-,18-,19-,20+;/m0./s1

InChIKey

WJMMXLIYALYDFB-HXBJQTCSSA-N

Smiles

Cn1c2ccccc2c3c1[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)OC)O)CN4CC3.I