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Substance Name: 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-(1-piperidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1)
RN: 181145-50-6
InChIKey: MNQTWHXZWQMFPX-TZWHYHHPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N5-O3-S.C4-H4-O4

Molecular Weight

  • 519.5761
 
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Names and Synonyms

  • 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-(1-piperidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 181145-50-6

System Generated Number

  • 0181145506

Molecular Formulas

Molecular Formula

  • C19-H25-N5-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H25-N5-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25N5O3S.C4H4O4/c1-22-14-16-18(21-27-13-12-24-10-6-3-7-11-24)15-8-4-5-9-17(15)23(2)28(25,26)19(16)20-22;5-3(6)1-2-4(7)8/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b21-18+;2-1+

InChIKey

MNQTWHXZWQMFPX-TZWHYHHPSA-N

Smiles

Cn1cc\2c(n1)S(=O)(=O)N(c3ccccc3/C2=N\OCCN4CCCCC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Archiv der Pharmazie Vol. 329, Pg. 352, 1996.