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Substance Name: Deserpidine [INN:BAN]
RN: 131-01-1
UNII: 9016E3VB47
InChIKey: CVBMAZKKCSYWQR-WCGOZPBSSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C32-H38-N2-O8

Molecular Weight

  • 578.658
 
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Names and Synonyms

Name of Substance

  • Deserpidine
  • Deserpidine [INN:BAN]

Synonyms

  • 11-Demethoxyreserpine
  • 11-Desmethoxyreserpine
  • 4-25-00-01282 (Beilstein Handbook Reference)
  • A-11025
  • BRN 0101820
  • Canescin
  • Canescine
  • Desepridine
  • Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
  • Deserpidin
  • Deserpidina
  • Deserpidina [INN-Spanish]
  • Deserpidine
  • Deserpidinum
  • Deserpidinum [INN-Latin]
  • Desmethoxyreserpine
  • EINECS 205-004-8
  • Harmonyl
  • Lilly 22641
  • Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate
  • Methyl 17alpha-methoxy-18beta-(3,4,5-trimethoxybenzoyloxy)-3beta,20alpha-yohimban-16beta-carboxylat
  • Methyl 18beta-hydroxy-17alpha-methoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester)
  • NSC 72138
  • Raunormin
  • Raunormine
  • Recanescin
  • Recanescine
  • Reserpidine
  • Tranquinil
  • UNII-9016E3VB47

Systematic Names

  • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Deserpidine
  • Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate

Mixture Name

  • Enduronyl

Registry Numbers

CAS Registry Number

  • 131-01-1

FDA UNII

  • 9016E3VB47

System Generated Number

  • 0000131011

Structure Descriptors

InChI

1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

InChIKey

CVBMAZKKCSYWQR-WCGOZPBSSA-N

Smiles

c12[C@@H]3[N@@](C[C@H]4C[C@@H](OC(c5cc(c(OC)c(c5)OC)OC)=O)[C@@H]([C@H]([C@@H]4C3)C(OC)=O)OC)CCc1c1ccccc1[nH]2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 688, 1955.
mouse LD50 oral 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 688, 1955.
rat LD50 intravenous 15mg/kg (15mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 104, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 230.5 deg C   EXP
log P (octanol-water) 3.240 (none)   EST
Atmospheric OH Rate Constant 3.74E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.