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Substance Name: Propanoic acid, 2-hydroxy-, compd. with 1-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N,N-dimethyl-2-propanamine (1:1)
RN: 85154-08-1
InChIKey: TVBOOZZXKDXSHZ-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C20-H24-Cl-N3-O2-S.C3-H6-O3

Molecular Weight

  • 496.025
 
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Names and Synonyms

Synonym

  • EINECS 285-890-0

Systematic Names

  • Lactic acid, compound with 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-1,N,N-trimethylethylamine (1:1)
  • Propanoic acid, 2-hydroxy-, compd. with 1-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-N,N-dimethyl-2-propanamine (1:1)

Registry Numbers

CAS Registry Number

  • 85154-08-1

System Generated Number

  • 0085154081

Molecular Formulas

Molecular Formula

  • C20-H24-Cl-N3-O2-S.C3-H6-O3

Molecular Formula Fragments

  • C20-H24-Cl-N3-O2-S
  • C3-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24ClN3O2S.C3H6O3/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16;1-2(4)3(5)6/h4-11,15H,12-14H2,1-3H3;2,4H,1H3,(H,5,6)

InChIKey

TVBOOZZXKDXSHZ-UHFFFAOYSA-N

Smiles

C(O)([C@@H](O)C)=O.C([C@@H](C)N(C)C)S(=O)(=O)c1ccc(cc1)N1N=C(CC1)c1ccc(cc1)Cl