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Substance Name: 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-(1-pyrrolidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1)
RN: 181145-48-2
InChIKey: FYTCPZPMCRSHDA-ZUTPTFRTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N5-O3-S.C4-H4-O4

Molecular Weight

  • 505.5493
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 181145-48-2

System Generated Number

  • 0181145482

Molecular Formulas

Molecular Formula

  • C18-H23-N5-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H23-N5-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23N5O3S.C4H4O4/c1-21-13-15-17(20-26-12-11-23-9-5-6-10-23)14-7-3-4-8-16(14)22(2)27(24,25)18(15)19-21;5-3(6)1-2-4(7)8/h3-4,7-8,13H,5-6,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b20-17+;2-1+

InChIKey

FYTCPZPMCRSHDA-ZUTPTFRTSA-N

Smiles

Cn1cc\2c(n1)S(=O)(=O)N(c3ccccc3/C2=N\OCCN4CCCC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Archiv der Pharmazie Vol. 329, Pg. 352, 1996.