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Substance Name: Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, (Z)-2-butenedioate (1:2)
RN: 59698-54-3
InChIKey: MHPGYVFEKPPAPH-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N3-S.2C4-H4-O4

Molecular Weight

  • 605.6649
 
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Names and Synonyms

Synonym

  • 1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)piperazine maleate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59698-54-3

System Generated Number

  • 0059698543

Molecular Formulas

Molecular Formula

  • C23-H23-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H23-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H23N3S.2C4H4O4/c1-3-9-21-18(7-1)17-20(19-8-2-4-10-22(19)27-21)25-13-15-26(16-14-25)23-11-5-6-12-24-23;2*5-3(6)1-2-4(7)8/h1-12,20H,13-17H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MHPGYVFEKPPAPH-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cccc3)C(C2)N4CCN(CC4)c5ncccc5.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 oral 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3386, 1975.