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Substance Name: 1-Piperazinecarboxaldehyde, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)
RN: 4925-64-8
InChIKey: VTMUMCSWQZWXAJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N2-O-S.C4-H4-O4

Molecular Weight

  • 440.518
 
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Names and Synonyms

Synonyms

  • 10-(4-Formylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate
  • 4-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinecarboxaldehyde maleate

Systematic Name

  • 1-Piperazinecarboxaldehyde, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 4925-64-8

System Generated Number

  • 0004925648

Molecular Formulas

Molecular Formula

  • C19-H20-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H20-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20N2OS.C4H4O4/c22-14-20-9-11-21(12-10-20)17-13-15-5-1-3-7-18(15)23-19-8-4-2-6-16(17)19;5-3(6)1-2-4(7)8/h1-8,14,17H,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

VTMUMCSWQZWXAJ-BTJKTKAUSA-N

Smiles

N1(CCN([C@@H]2c3c(Sc4ccccc4C2)cccc3)CC1)C=O.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 3186, 1967.