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Substance Name: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-, acetate (ester), (+-)-
RN: 42021-44-3
InChIKey: TWIQINRBEWLIOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-F-N3-O2

Molecular Weight

  • 435.54
 
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Names and Synonyms

Synonym

  • BRN 0633086

Systematic Name

  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-butanol, 3,4,6,7,12,12a-hexahydro-alpha-(4-fluorophenyl)-, acetate (ester), (+-)-

Registry Numbers

CAS Registry Number

  • 42021-44-3

System Generated Number

  • 0042021443

Structure Descriptors

InChI

1S/C26H30FN3O2/c1-18(31)32-26(19-8-10-20(27)11-9-19)7-4-12-29-13-14-30-17-25-23(15-21(30)16-29)22-5-2-3-6-24(22)28-25/h2-3,5-6,8-11,21,26,28H,4,7,12-17H2,1H3

InChIKey

TWIQINRBEWLIOW-UHFFFAOYSA-N

Smiles

CC(=O)OC(CCCN1CCN2Cc3c(c4ccccc4[nH]3)CC2C1)c5ccc(cc5)F

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.