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Substance Name: Aminopyrine butylchloral hydrate
RN: 3963-81-3
UNII: 144H3679JY
InChIKey: WJSLIOCJBDDBGK-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N3-O.C4-H7-Cl3-O2

Molecular Weight

  • 424.754
 
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Names and Synonyms

Name of Substance

  • Aminopyrine butylchloral hydrate

Synonyms

  • EINECS 223-567-8
  • UNII-144H3679JY

Systematic Name

  • 4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,3-trichlorobutane-1,1-diol (1:1)

Registry Numbers

CAS Registry Number

  • 3963-81-3

FDA UNII

  • 144H3679JY

System Generated Number

  • 0003963813

Molecular Formulas

Molecular Formula

  • C13-H17-N3-O.C4-H7-Cl3-O2

Molecular Formula Fragments

  • C13-H17-N3-O
  • C4-H7-Cl3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17N3O.C4H7Cl3O2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2(5)4(6,7)3(8)9/h5-9H,1-4H3;2-3,8-9H,1H3

InChIKey

WJSLIOCJBDDBGK-UHFFFAOYSA-N

Smiles

O=c1c(N(C)C)c(C)n(C)n1c1ccccc1.C([C@@H](C)Cl)(Cl)(Cl)C(O)O