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Substance Name: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate
RN: 121942-97-0
InChIKey: CSSQUMWLMFVPHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-N4-O-S.Cl-H.H2-O

Molecular Weight

  • 521.1257
 
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Names and Synonyms

  • 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 121942-97-0

System Generated Number

  • 0121942970

Molecular Formulas

Molecular Formula

  • C29-H32-N4-O-S.Cl-H.H2-O

Molecular Formula Fragments

  • C29-H32-N4-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H32N4OS.ClH/c1-21-11-12-27-24(19-21)28(23-8-3-2-7-22(23)20-35-27)32-17-15-31(16-18-32)13-6-14-33-26-10-5-4-9-25(26)30-29(33)34;/h2-5,7-12,19,28H,6,13-18,20H2,1H3,(H,30,34);1H

InChIKey

CSSQUMWLMFVPHX-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C(c3ccccc3CS2)N4CCN(CC4)CCCn5c6ccccc6[nH]c5=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.