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Substance Name: 1-Propanamine, 3-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 69195-82-0
InChIKey: RSQIONOQBFEBKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-S2.C6-H8-O7

Molecular Weight

  • 556.097
 
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Names and Synonyms

Synonyms

  • 8-Chloro-10-(3-dimethylaminopropylthio)-10,11-dihydrodibenzo(b,f)thiepin dihydrogen citrate
  • VUFB-10107

Systematic Name

  • 1-Propanamine, 3-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 69195-82-0

System Generated Number

  • 0069195820

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-S2.C6-H8-O7

Molecular Formula Fragments

  • C19-H22-Cl-N-S2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNS2.C6H8O7/c1-21(2)10-5-11-22-19-12-14-6-3-4-7-17(14)23-18-9-8-15(20)13-16(18)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-9,13,19H,5,10-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RSQIONOQBFEBKD-UHFFFAOYSA-N

Smiles

CN(C)CCCSC1Cc2ccccc2Sc3c1cc(cc3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 2427, 1978.