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Substance Name: Dibenzo(b,f)thiepin-10-propylamine, 2-chloro-N,N-dimethyl-11-(3-(dimethylamino)propoxy)-, maleate (1:2)
RN: 31772-65-3
InChIKey: YZAGABBWDRLKJD-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 663.184
 
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Names and Synonyms

  • Dibenzo(b,f)thiepin-10-propylamine, 2-chloro-N,N-dimethyl-11-(3-(dimethylamino)propoxy)-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 31772-65-3

System Generated Number

  • 0031772653

Molecular Formulas

Molecular Formula

  • C24-H31-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C24-H31-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31ClN2OS.2C4H4O4/c1-26(2)14-7-10-20-19-9-5-6-11-22(19)29-23-13-12-18(25)17-21(23)24(20)28-16-8-15-27(3)4;2*5-3(6)1-2-4(7)8/h5-6,9,11-13,17H,7-8,10,14-16H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

YZAGABBWDRLKJD-SPIKMXEPSA-N

Smiles

C1(=C(c2c(Sc3c1cccc3)ccc(c2)Cl)OCCC[NH+](C)C)CCC[NH+](C)C.C(=C/C(=O)[O-])\C(O)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.