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Substance Name: Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2)
RN: 41931-62-8
InChIKey: PDPICGUSQLRLGA-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H46-N2-O2-S2.2C4-H4-O4

Molecular Weight

  • 787.0026
 
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Names and Synonyms

Synonyms

  • 10-(4-(3-Decanoyloxypropyl)piperazino)-8-methylthio-10,11-dihydrodibenzo(b,f)thiepin dimaleate
  • Oxyprothepin decanoate
  • VUFB-12452

Systematic Name

  • Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 41931-62-8

System Generated Number

  • 0041931628

Molecular Formulas

Molecular Formula

  • C32-H46-N2-O2-S2.2C4-H4-O4

Molecular Formula Fragments

  • C32-H46-N2-O2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C32H46N2O2S2.2C4H4O4/c1-3-4-5-6-7-8-9-15-32(35)36-23-12-18-33-19-21-34(22-20-33)29-24-26-13-10-11-14-30(26)38-31-17-16-27(37-2)25-28(29)31;2*5-3(6)1-2-4(7)8/h10-11,13-14,16-17,25,29H,3-9,12,15,18-24H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

PDPICGUSQLRLGA-LVEZLNDCSA-N

Smiles

CCCCCCCCCC(=O)OCCCN1CCN(CC1)C2c3c(ccc(c3)SC)Sc4c(cccc4)C2.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 675mg/kg (675mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 504, 1980.