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Substance Name: Pseudostrychnine
RN: 465-62-3
InChIKey: NEGSUDQOBLZTIP-SQCXDRCRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O3

Molecular Weight

  • 350.416
 
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Names and Synonyms

Synonyms

  • 16-Hydroxy-strychnine
  • 16-Hydroxystrychnidin-10-one
  • NSC 99792
  • Pseudostrychnine
  • psi-Strychnine

Systematic Names

  • Pseudostrychnine
  • Strychnidin-10-one, 16-hydroxy- (9CI)

Registry Numbers

CAS Registry Number

  • 465-62-3

System Generated Number

  • 0000465623

Structure Descriptors

InChI

1S/C21H22N2O3/c24-17-10-22-9-11-5-6-26-15-8-18(25)23-14-4-2-1-3-13(14)21(17)16(22)7-12(11)19(15)20(21)23/h1-5,12,15-17,19-20,24H,6-10H2/t12-,15-,16?,17+,19-,20-,21?/m0/s1

InChIKey

NEGSUDQOBLZTIP-SQCXDRCRSA-N

Smiles

O=C1C[C@H]2[C@@H]3[C@@H]4C(C[N@@]5[C@@H]([C@@]6(c7c(cccc7)N1[C@@H]36)[C@@H](C5)O)C4)=CCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1210ug/kg (1.21mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmaceutica Suecica. Vol. 7, Pg. 329, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.82 (none)   EXP
Water Solubility 172 mg/L 25 EST
Vapor Pressure 1.48E-12 mm Hg 25 EST
Henry's Law Constant 2.18E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.06E-10 cm3/molecule-sec 25 EST

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