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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)
RN: 74277-35-3
InChIKey: UFZGEDNSWMWABU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-O2-S.2Cl-H.H2-O

Molecular Weight

  • 477.8813
 
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Names and Synonyms

Synonym

  • VUFB-13762

Systematic Name

  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 74277-35-3

System Generated Number

  • 0074277353

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O2-S.2Cl-H.H2-O

Molecular Formula Fragments

  • C21-H25-Cl-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25ClN2O2S.2ClH/c22-16-3-5-20-18(13-16)19(12-15-2-4-17(26)14-21(15)27-20)24-9-7-23(8-10-24)6-1-11-25;;/h2-5,13-14,19,25-26H,1,6-12H2;2*1H

InChIKey

UFZGEDNSWMWABU-UHFFFAOYSA-N

Smiles

c1cc2c(cc1O)Sc3ccc(cc3C(C2)N4CCN(CC4)CCCO)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1151mg/kg (1151mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 3617, 1979.