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Substance Name: Butyrophenone, 4'-fluoro-4-(9-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, cyclohexanesulfamate
RN: 23901-27-1
InChIKey: JIBMPRDHZSYKNI-UHFFFAOYSA-N

Molecular Formula

  • C23-H25-F-N2-O2.C6-H13-O3-S

Molecular Weight

  • 559.699
 
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Names and Synonyms

  • Butyrophenone, 4'-fluoro-4-(9-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, cyclohexanesulfamate

Registry Numbers

CAS Registry Number

  • 23901-27-1

System Generated Number

  • 0023901271

Molecular Formulas

Molecular Formula

  • C23-H25-F-N2-O2.C6-H13-O3-S

Molecular Formula Fragments

  • C23-H25-F-N2-O2
  • C6-H13-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25FN2O2.C6H13NO3S/c1-28-18-8-9-21-20(15-18)19-10-13-26(14-11-22(19)25-21)12-2-3-23(27)16-4-6-17(24)7-5-16;8-11(9,10)7-6-4-2-1-3-5-6/h4-9,15,25H,2-3,10-14H2,1H3;6-7H,1-5H2,(H,8,9,10)

InChIKey

JIBMPRDHZSYKNI-UHFFFAOYSA-N

Smiles

c12c3c([nH]c1ccc(c2)OC)CC[N@@H+](CC3)CCCC(c1ccc(F)cc1)=O.C1(CCCCC1)NS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 23, 1970.