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Substance Name: 1-Piperazinecarboxylic acid, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, ethyl ester, maleate (1:1)
RN: 4774-28-1
InChIKey: PHYXWIUMKRCYCV-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O2-S.C4-H4-O4

Molecular Weight

  • 484.57
 
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Names and Synonyms

Synonym

  • 10-(4-Ethoxycarbonylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, ethyl ester, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 4774-28-1

System Generated Number

  • 0004774281

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H24-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O2S.C4H4O4/c1-2-25-21(24)23-13-11-22(12-14-23)18-15-16-7-3-5-9-19(16)26-20-10-6-4-8-17(18)20;5-3(6)1-2-4(7)8/h3-10,18H,2,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

PHYXWIUMKRCYCV-BTJKTKAUSA-N

Smiles

N1(CCN([C@@H]2Cc3ccccc3Sc3c2cccc3)CC1)C(=O)OCC.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 95500ug/kg (95.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 3186, 1967.