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Substance Name: Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-6-(3-(dimethylamino)propoxy)-, (Z)-2-butenedioate (1:1) (salt)
RN: 125982-00-5
InChIKey: PXJRUEVCXOJRLM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2-S.C4-H4-O4

Molecular Weight

  • 445.5333
 
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Names and Synonyms

Synonym

  • 6-(3-Dimethylaminopropoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate

Systematic Name

  • Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-6-(3-(dimethylamino)propoxy)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 125982-00-5

System Generated Number

  • 0125982005

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2S.C4H4O4/c1-20(2)11-6-12-22-17-9-5-8-15-16(21)13-14-7-3-4-10-18(14)23-19(15)17;5-3(6)1-2-4(7)8/h3-5,7-10,16,21H,6,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PXJRUEVCXOJRLM-WLHGVMLRSA-N

Smiles

CN(C)CCCOc1cccc2c1Sc3ccccc3CC2O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25559ug/kg (25.559mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1955, 1989.