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Substance Name: Clorotepine maleate, (-)-
RN: 41931-06-0
UNII: 7LM9PCV91T
InChIKey: GWKBZIADWSOIQV-XLOMBBFOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-S.C4-H4-O4

Molecular Weight

  • 460.9795
 
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Names and Synonyms

Name of Substance

  • Clorotepine maleate, (-)-

Synonyms

  • (-)-8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • (-)-Octoclothepin maleate
  • UNII-7LM9PCV91T

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (-)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 41931-06-0

FDA UNII

  • 7LM9PCV91T

System Generated Number

  • 0041931060

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m1./s1

InChIKey

GWKBZIADWSOIQV-XLOMBBFOSA-N

Smiles

CN1CCN(CC1)[C@@H]2Cc3ccccc3Sc4ccc(Cl)cc24.OC(=O)\C=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 41430ug/kg (41.43mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 115, 1973.