Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl reserpate
RN: 2901-66-8
UNII: TIB2VC9239
InChIKey: MDJQWFFIUHUJSB-UQVJXISSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O5

Molecular Weight

  • 414.499
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Methyl reserpate

Synonyms

  • EINECS 220-792-3
  • Methyl reserpate
  • Methyl reserpinolate
  • MR
  • NSC 81464
  • Reserpate de methyle
  • Reserpate de methyle [French]
  • Reserpic acid, methyl ester
  • UNII-TIB2VC9239

Systematic Names

  • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester
  • 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester (8CI)
  • Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
  • Yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 2901-66-8

FDA UNII

  • TIB2VC9239

System Generated Number

  • 0002901668

Structure Descriptors

InChI

1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1

InChIKey

MDJQWFFIUHUJSB-UQVJXISSSA-N

Smiles

c12[C@@H]3[N@@](C[C@H]4C[C@@H](O)[C@@H]([C@H]([C@@H]4C3)C(=O)OC)OC)CCc2c2ccc(cc2[nH]1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48mg/kg (48mg/kg)   French Demande Patent Document. Vol. #2390163,
mouse LD50 oral 210mg/kg (210mg/kg)   French Demande Patent Document. Vol. #2390163,
rat LD50 oral 479mg/kg (479mg/kg)   French Demande Patent Document. Vol. #2390163,