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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 30319-65-4
InChIKey: GOKRCBLYAVKUHY-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C21-H24-Cl-N2-O-S.2C4-H4-O4
  • C21-H25-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 621.104
 
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Names and Synonyms

Synonym

  • 8-Chloro-10-(4-(3-hydroxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate

Systematic Names

  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butendioate (1:2) (salt)
  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 30319-65-4

System Generated Number

  • 0030319654

Molecular Formulas

Molecular Formulas

  • C21-H24-Cl-N2-O-S.2C4-H4-O4
  • C21-H25-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C21-H24-Cl-N2-O-S
  • C21-H25-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN2OS.2C4H4O4/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)24-11-9-23(10-12-24)8-3-13-25;2*5-3(6)1-2-4(7)8/h1-2,4-7,15,19,25H,3,8-14H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GOKRCBLYAVKUHY-LVEZLNDCSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.N1(CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2)CCCO.C(=O)(O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 232mg/kg (232mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.