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Substance Name: 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-chloro-4,5-epoxy-5-phenyl-, 1,1-dioxide
RN: 3362-08-1
InChIKey: KPSPYIGRPWPSPY-UHFFFAOYSA-N

Molecular Formula

  • C15-H12-Cl-N-O3-S

Molecular Weight

  • 321.783
 
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Names and Synonyms

Synonyms

  • 7-Chloro-4,5-epoxy-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
  • BRN 1089288

Systematic Name

  • 1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-chloro-4,5-epoxy-5-phenyl-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 3362-08-1

System Generated Number

  • 0003362081

Structure Descriptors

InChI

1S/C15H12ClNO3S/c16-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)17(20-15)8-9-21(14,18)19/h1-7,10H,8-9H2

InChIKey

KPSPYIGRPWPSPY-UHFFFAOYSA-N

Smiles

S1(CC[N@@]2[C@@](c3c1ccc(c3)Cl)(O2)c1ccccc1)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04203,