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Substance Name: 1-Propanamine, 3-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1)
RN: 124645-24-5
InChIKey: FOBWXNSYRLSTOU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-S2.C4-H4-O4

Molecular Weight

  • 480.0464
 
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Names and Synonyms

Synonym

  • (+-)-N,N-Dimethyl-3-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-ylthio)propylamine maleate

Systematic Name

  • 1-Propanamine, 3-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 124645-24-5

System Generated Number

  • 0124645245

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-S2.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-Cl-N-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNS2.C4H4O4/c1-21(2)10-5-11-22-19-13-14-12-15(20)8-9-17(14)23-18-7-4-3-6-16(18)19;5-3(6)1-2-4(7)8/h3-4,6-9,12,19H,5,10-11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FOBWXNSYRLSTOU-WLHGVMLRSA-N

Smiles

CN(C)CCCSC1Cc2cc(ccc2Sc3c1cccc3)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1403, 1989.