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Substance Name: Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(3-(dimethylamino)propyl)-, cis-, (Z)-2-butenedioate (1:1)
RN: 62674-90-2
InChIKey: YCZONUHVWNZNDW-KBIIIRRASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-O-S.C4-H4-O4

Molecular Weight

  • 463.979
 
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Names and Synonyms

Synonym

  • cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate

Systematic Name

  • Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(3-(dimethylamino)propyl)-, cis-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 62674-90-2

System Generated Number

  • 0062674902

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-Cl-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNOS.C4H4O4/c1-21(2)11-5-7-15-14-6-3-4-8-17(14)23-18-10-9-13(20)12-16(18)19(15)22;5-3(6)1-2-4(7)8/h3-4,6,8-10,12,15,19,22H,5,7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,19-;/m0./s1

InChIKey

YCZONUHVWNZNDW-KBIIIRRASA-N

Smiles

c12[C@@H]([C@@H](c3cc(Cl)ccc3Sc1cccc2)O)CCC[NH+](C)C.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3420, 1976.