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Substance Name: Methyl tetrahydropyranylreserpate
RN: 751-73-5
InChIKey: VTHDACIJKLUNPX-OVNKSTFYSA-N

Molecular Formula

  • C28-H38-N2-O6

Molecular Weight

  • 498.6162
 
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Names and Synonyms

Results Name

  • Methyl tetrahydropyranylreserpate

Synonyms

  • Methyl (tetrahydro-2-pyranyl)reserpate
  • Methyl tetrahydropyranylreserpate
  • Methyl-0-(tetrahydro-2-pyranyl)reserpate
  • NSC 169861
  • SU 7064

Systematic Names

  • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11-alpha,17-alpha-dimethoxy-18-beta-(tetrahydro-2-pyranyloxy)-, methyl ester
  • 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-((tetrahydro-2H-pyran-2-yl)oxy)-11,17alpha-dimethoxy-, methyl ester (8CI)
  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((tetrahydro-2H-pyran-2-yl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 751-73-5

System Generated Number

  • 0000751735

Structure Descriptors

InChI

1S/C28H38N2O6/c1-32-17-7-8-18-19-9-10-30-15-16-12-23(36-24-6-4-5-11-35-24)27(33-2)25(28(31)34-3)20(16)14-22(30)26(19)29-21(18)13-17/h7-8,13,16,20,22-25,27,29H,4-6,9-12,14-15H2,1-3H3/t16-,20+,22-,23-,24?,25+,27+/m1/s1

InChIKey

VTHDACIJKLUNPX-OVNKSTFYSA-N

Smiles

COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC6CCCCO6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 7mg/kg (7mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 112, 1972.
rat LD50 oral 173mg/kg (173mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 112, 1972.