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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate), hydrate (1:1:1)
RN: 41931-72-0
InChIKey: NEJNMKILECTRLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O-S2.C23-H16-O6.H2-O

Molecular Weight

  • 788.9816
 
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Names and Synonyms

Synonyms

  • 8-Methylthio-10-(4-(3-hydroxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin embonate H2O
  • Oxyprothepin embonate (1:1) monohydrate

Systematic Name

  • 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate), hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 41931-72-0

System Generated Number

  • 0041931720

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O-S2.C23-H16-O6.H2-O

Molecular Formula Fragments

  • C22-H28-N2-O-S2
  • C23-H16-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H16O6.C22H28N2OS2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-3,5-8,16,20,25H,4,9-15H2,1H3

InChIKey

NEJNMKILECTRLR-UHFFFAOYSA-N

Smiles

CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCCO.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 88600ug/kg (88.6mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1190, 1973.
mouse LD50 oral 137mg/kg (137mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1190, 1973.