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Substance Name: 1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-dimethyl-, (Z)-2-butenedioate (1:2)
RN: 34661-58-0
InChIKey: UBDZSXVKOJAYHL-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-Cl-N3-S.2C4-H4-O4

Molecular Weight

  • 634.146
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 34661-58-0

System Generated Number

  • 0034661580

Molecular Formulas

Molecular Formula

  • C22-H28-Cl-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H28-Cl-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28ClN3S.2C4H4O4/c1-24(2)9-10-25-11-13-26(14-12-25)20-15-17-5-3-4-6-21(17)27-22-8-7-18(23)16-19(20)22;2*5-3(6)1-2-4(7)8/h3-8,16,20H,9-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

UBDZSXVKOJAYHL-LVEZLNDCSA-N

Smiles

C(O)(\C=C\C(=O)O)=O.N1(CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2)CCN(C)C.C(=O)(O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 91500ug/kg (91.5mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.