Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-11-(3-(dimethylamino)propyl)-, cis-, ethanedioate (1:1)
RN: 87033-51-0
InChIKey: YNWDETZEXVPRAI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-S.C2-H2-O4

Molecular Weight

  • 411.5
 
* 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

Synonym

  • cis-11-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-10-carbonitrile oxalate

Systematic Name

  • Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-11-(3-(dimethylamino)propyl)-, cis-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 87033-51-0

System Generated Number

  • 0087033510

Molecular Formulas

Molecular Formula

  • C20-H22-N2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H22-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2S.C2H2O4/c1-22(2)13-7-10-15-16-8-3-5-11-19(16)23-20-12-6-4-9-17(20)18(15)14-21;3-1(4)2(5)6/h3-6,8-9,11-12,15,18H,7,10,13H2,1-2H3;(H,3,4)(H,5,6)/p-1

InChIKey

YNWDETZEXVPRAI-UHFFFAOYSA-M

Smiles

c12[C@@H]([C@@H](c3ccccc3Sc1cccc2)C#N)CCCN(C)C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 460mg/kg (460mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1187, 1983.