Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-, hydrochloride, hydrate (2:4:3)
RN: 121943-03-1
InChIKey: LXIHFJYOGKQDIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-Cl-N4-O-S.2Cl-H.3/2H2-O

Molecular Weight

  • 578.0049
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-, hydrochloride, hydrate (2:4:3)

Registry Numbers

CAS Registry Number

  • 121943-03-1

System Generated Number

  • 0121943031

Molecular Formulas

Molecular Formula

  • C28-H29-Cl-N4-O-S.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C28-H29-Cl-N4-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H29ClN4OS.2ClH/c29-21-10-11-26-20(18-21)19-25(22-6-1-4-9-27(22)35-26)32-16-14-31(15-17-32)12-5-13-33-24-8-3-2-7-23(24)30-28(33)34;;/h1-4,6-11,18,25H,5,12-17,19H2,(H,30,34);2*1H

InChIKey

LXIHFJYOGKQDIV-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)N4CCN(CC4)CCCn5c6ccccc6[nH]c5=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.