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Substance Name: beta-Colubrine
RN: 509-36-4
UNII: PEK2HDB6QQ
InChIKey: ZTHVHELPCLGXHF-JPPAUQSISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O3

Molecular Weight

  • 364.4426
 
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Names and Synonyms

Name of Substance

  • beta-Colubrine

Synonyms

  • 2-Methoxy strychnine
  • 2-Methoxy-strychnine
  • 2-Methoxystrychnidin-10-one
  • COLUBRINE, BETA
  • NSC 72862
  • Strychnine, 2-methoxy-
  • UNII-PEK2HDB6QQ

Systematic Names

  • beta-Colubrine
  • Strychnidin-10-one, 2-methoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 509-36-4

FDA UNII

  • PEK2HDB6QQ

System Generated Number

  • 0000509364

Structure Descriptors

InChI

1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1

InChIKey

ZTHVHELPCLGXHF-JPPAUQSISA-N

Smiles

COc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 8700ug/kg (8.7mg/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
Melting Point 222 deg C   EXP
log P (octanol-water) 1.85 (none)   EXP
Water Solubility 133 mg/L 25 EST
Vapor Pressure 5.53E-10 mm Hg 25 EST
Henry's Law Constant 3.53E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.31E-10 cm3/molecule-sec 25 EST

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