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Substance Name: 1-Butanone, 4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-1-(4-methylphenyl)-, (+-)-
RN: 42021-42-1
InChIKey: MHIKXHXUAABKNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N3-O

Molecular Weight

  • 387.5241
 
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Names and Synonyms

  • 1-Butanone, 4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-1-(4-methylphenyl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 42021-42-1

System Generated Number

  • 0042021421

Structure Descriptors

InChI

1S/C25H29N3O/c1-18-8-10-19(11-9-18)25(29)7-4-12-27-13-14-28-17-24-22(15-20(28)16-27)21-5-2-3-6-23(21)26-24/h2-3,5-6,8-11,20,26H,4,7,12-17H2,1H3

InChIKey

MHIKXHXUAABKNA-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)CCCN2CCN3Cc4c(c5ccccc5[nH]4)CC3C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Medicinal Chemistry. Vol. 16, Pg. 560, 1973.