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Substance Name: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate (2:2:1)
RN: 121942-95-8
InChIKey: NXYWEWUTQMDBAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N4-O-S.Cl-H.1/2H2-O

Molecular Weight

  • 507.0989
 
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Names and Synonyms

Synonym

  • VUFB-15319

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121942-95-8

System Generated Number

  • 0121942958

Molecular Formulas

Molecular Formula

  • C28-H30-N4-O-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C28-H30-N4-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H30N4OS.ClH/c33-28-29-24-11-4-5-12-25(24)32(28)15-7-14-30-16-18-31(19-17-30)27-22-9-2-1-8-21(22)20-34-26-13-6-3-10-23(26)27;/h1-6,8-13,27H,7,14-20H2,(H,29,33);1H

InChIKey

NXYWEWUTQMDBAR-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CSc3ccccc3C2N4CCN(CC4)CCCn5c6ccccc6[nH]c5=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 700mg/kg (700mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.