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Substance Name: Clorotepine mesylate
RN: 42505-79-3
UNII: KLU0VHS3Y4
InChIKey: XQRUOHZMMIUQSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-S.C-H4-O3-S

Molecular Weight

  • 441.013
 
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Names and Synonyms

Name of Substance

  • Clorotepine mesylate

Synonyms

  • 8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
  • Clorotepin methanesulfonate
  • d,l-8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
  • EINECS 255-855-4
  • Octoclothepine methanesulfonate
  • UNII-KLU0VHS3Y4

Systematic Names

  • 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazinium methanesulphonate
  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 42505-79-3

FDA UNII

  • KLU0VHS3Y4

Related Registry Number

  • 13448-22-1 (Parent)

System Generated Number

  • 0042505793

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H21-Cl-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21ClN2S.CH4O3S/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;1-5(2,3)4/h2-7,13,17H,8-12H2,1H3;1H3,(H,2,3,4)

InChIKey

XQRUOHZMMIUQSB-UHFFFAOYSA-N

Smiles

N1([C@@H]2Cc3c(Sc4c2cc(cc4)Cl)cccc3)CCN(C)CC1.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 59200ug/kg (59.2mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 719, 1975.
mouse LD50 oral 99700ug/kg (99.7mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 719, 1975.
rabbit LD50 oral 310mg/kg (310mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 84, 1972.