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Substance Name: Raubasine
RN: 483-04-5
UNII: 4QJL8OX71Z
InChIKey: GRTOGORTSDXSFK-XJTZBENFSA-N

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Natural Product
  • Vasodilator Agents

Molecular Formula

  • C21-H24-N2-O3

Molecular Weight

  • 352.4316
 
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Names and Synonyms

Name of Substance

  • Raubasine

Synonyms

  • 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid methyl ester
  • 4-27-00-07927 (Beilstein Handbook Reference)
  • Ajmalicin
  • Ajmalicine
  • Alkaloid C
  • Alkaloid F
  • Alkaloid II
  • BRN 0097268
  • Circolene
  • delta-Yohimbine
  • EINECS 207-589-5
  • Hydrosarpan
  • Lamuran
  • Methyl (19-methyl-16,17-dehydro-18-oxa-3alpha,15alpha,19beta,20beta-yohimban-16-carboxylat)
  • Methyl 16,17-didehydro-19alpha-methyl-18-oxayohimban-16-carboxylat
  • NSC 72133
  • py-Tetrahydroserpentine
  • Ranitol
  • Raubaserp
  • Raubasil
  • Raubasin
  • Raubasine
  • Raumalina
  • Rauvasan
  • Sarpan
  • Substance II
  • Tensyl
  • Tetrahydroserpentine
  • UNII-4QJL8OX71Z
  • Vincain
  • Vincein
  • Vinceine

Systematic Names

  • Ajmalicine
  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 483-04-5

FDA UNII

  • 4QJL8OX71Z

System Generated Number

  • 0000483045

Structure Descriptors

InChI

1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1

InChIKey

GRTOGORTSDXSFK-XJTZBENFSA-N

Smiles

C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 12500ug/kg (12.5mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC
Chest. Vol. 76, Pg. 97, 1979.
guinea pig LDLo intravenous 20mg/kg (20mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 600, 1973.
mouse LD50 intraperitoneal 165mg/kg (165mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
mouse LD50 intravenous 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 233, Pg. 72, 1958.
mouse LD50 oral 400mg/kg (400mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
rabbit LD50 intravenous 20mg/kg (20mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
rabbit LD50 oral 500mg/kg (500mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
rat LD50 intravenous 24mg/kg (24mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 117, 1972.
rat LDLo oral 750mg/kg (750mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 233, Pg. 72, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 258 dec deg C   EXP
log P (octanol-water) 2.230 (none)   EST
Atmospheric OH Rate Constant 3.13E-10 cm3/molecule-sec 25 EST

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