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Substance Name: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-phenethyl-, hemihydrate, dl-
RN: 63680-82-0
InChIKey: JXZPYNBSUAJWRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3.1/2H2-O

Molecular Weight

  • 680.9358
 
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Names and Synonyms

Synonym

  • 2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole

Systematic Name

  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-phenethyl-, hemihydrate, dl-

Registry Numbers

CAS Registry Number

  • 63680-82-0

System Generated Number

  • 0063680820

Molecular Formulas

Molecular Formula

  • C22-H25-N3.1/2H2-O

Molecular Formula Fragments

  • C22-H25-N3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C22H25N3.H2O/c2*1-2-6-17(7-3-1)10-11-24-12-13-25-16-22-20(14-18(25)15-24)19-8-4-5-9-21(19)23-22;/h2*1-9,18,23H,10-16H2;1H2

InChIKey

JXZPYNBSUAJWRL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCN2CCN3Cc4c(c5ccccc5[nH]4)CC3C2.c1ccc(cc1)CCN2CCN3Cc4c(c5ccccc5[nH]4)CC3C2.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 560, 1973.