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Substance Name: 2-Butanone, 4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, (+-)-
RN: 42021-45-4
InChIKey: MPDDJJUHKSWBKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O

Molecular Weight

  • 297.3997
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42021-45-4

System Generated Number

  • 0042021454

Structure Descriptors

InChI

1S/C18H23N3O/c1-13(22)6-7-20-8-9-21-12-18-16(10-14(21)11-20)15-4-2-3-5-17(15)19-18/h2-5,14,19H,6-12H2,1H3

InChIKey

MPDDJJUHKSWBKG-UHFFFAOYSA-N

Smiles

CC(=O)CCN1CCN2Cc3c(c4ccccc4[nH]3)CC2C1

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.