Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-hydroxy-4-(2-methylphenyl)-1-piperidinyl)propyl)-, monohydrochloride, hydrate
RN: 99756-27-1
InChIKey: HHHWCFWZCBDWNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-N2-O-S.Cl-H.H2-O

Molecular Weight

  • 505.1227
 
* 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

  • Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(4-hydroxy-4-(2-methylphenyl)-1-piperidinyl)propyl)-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 99756-27-1

System Generated Number

  • 0099756271

Molecular Formulas

Molecular Formula

  • C30-H32-N2-O-S.Cl-H.H2-O

Molecular Formula Fragments

  • C30-H32-N2-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C30H32N2OS.ClH/c1-23-9-2-4-11-25(23)30(33)16-19-32(20-17-30)18-8-15-29(22-31)26-12-5-3-10-24(26)21-34-28-14-7-6-13-27(28)29;/h2-7,9-14,33H,8,15-21H2,1H3;1H

InChIKey

HHHWCFWZCBDWNL-UHFFFAOYSA-N

Smiles

Cc1ccccc1C2(CCN(CC2)CCCC3(c4ccccc4CSc5c3cccc5)C#N)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 558mg/kg (558mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1089, 1985.