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Substance Name: Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, hydrochloride (1:1)
RN: 130381-20-3
InChIKey: ZDUFZWKYXOUSRK-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C33-H46-N4-O3.Cl-H

Molecular Weight

  • 583.2123
 
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Names and Synonyms

Synonym

  • 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)butanamide monohydrochloride

Systematic Names

  • Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, hydrochloride (1:1)
  • Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-(4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl)phenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130381-20-3

System Generated Number

  • 0130381203

Molecular Formulas

Molecular Formula

  • C33-H46-N4-O3.Cl-H

Molecular Formula Fragments

  • C33-H46-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H46N4O3.ClH/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36;/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39);1H

InChIKey

ZDUFZWKYXOUSRK-UHFFFAOYSA-N

Smiles

C([C@@H](CC)Oc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C)(=O)Nc1ccc(cc1)N1N=C(CC1=O)N1CCCC1.Cl