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Substance Name: 1-Pentanone, 1-(4-fluorophenyl)-5-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, (+-)-
RN: 42021-37-4
InChIKey: HPPIFYLDMCQPCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-F-N3-O

Molecular Weight

  • 405.5142
 
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Names and Synonyms

  • 1-Pentanone, 1-(4-fluorophenyl)-5-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 42021-37-4

System Generated Number

  • 0042021374

Structure Descriptors

InChI

1S/C25H28FN3O/c26-19-10-8-18(9-11-19)25(30)7-3-4-12-28-13-14-29-17-24-22(15-20(29)16-28)21-5-1-2-6-23(21)27-24/h1-2,5-6,8-11,20,27H,3-4,7,12-17H2

InChIKey

HPPIFYLDMCQPCC-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c3c([nH]2)CN4CCN(CC4C3)CCCCC(=O)c5ccc(cc5)F

Toxicity

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