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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, acetate (ester), maleate (1:2)
RN: 16926-50-4
InChIKey: REDJFJATZHZMIX-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 628.695
 
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Names and Synonyms

Synonym

  • 10-(4-(3-Acetoxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate)

Systematic Name

  • 1-Piperazinepropanol, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, acetate (ester), maleate (1:2)

Registry Numbers

CAS Registry Number

  • 16926-50-4

System Generated Number

  • 0016926504

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H28-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N2O2S.2C4H4O4/c1-18(26)27-16-6-11-24-12-14-25(15-13-24)21-17-19-7-2-4-9-22(19)28-23-10-5-3-8-20(21)23;2*5-3(6)1-2-4(7)8/h2-5,7-10,21H,6,11-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

REDJFJATZHZMIX-SPIKMXEPSA-N

Smiles

C(\C=C/C(O)=O)(=O)O.C(C)(=O)OCCCN1CCN(CC1)[C@@H]1Cc2c(Sc3c1cccc3)cccc2.C(=O)(O)\C=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 3186, 1967.