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Substance Name: MEN 16132
RN: 869880-33-1
UNII: 41ELA1U90I
InChIKey: QIAWOUUTKDMGTE-UJXPALLWSA-M

Molecular Formula

  • C36-H49-Cl2-N6-O6-S.Cl-H.Cl

Molecular Weight

  • 836.705
 
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Names and Synonyms

Results Name

  • MEN 16132

Name of Substance

  • Fasitibant chloride hydrochloride

Synonyms

  • 4(S)-Amino-5-((4-{4-(2,4-dichloro-3-(2,4-dimethyl-8-quinolyloxymethyl)henylsulfonamido)-tetrahydro-2H-4-pyranylcarbonyl}piperazino)-5-oxopentyl)(trimethyl)ammonium chloride hydrochloride
  • MEN 16132
  • MEN16132
  • UNII-41ELA1U90I

Systematic Name

  • 1-Piperazinepentanaminium, delta-amino-4-((4-(((2,4-dichloro-3-(((2,4-dimethyl-8-quinolinyl)oxy)methyl)phenyl)sulfonyl)amino)tetrahydro-2H-pyran-4-yl)carbonyl)-N,N,N-trimethyl-epsilon-oxo-, chloride, monohydrochloride, (deltaS)-

Registry Numbers

CAS Registry Number

  • 869880-33-1

FDA UNII

  • 41ELA1U90I

System Generated Number

  • 0869880331

Molecular Formulas

Molecular Formula

  • C36-H49-Cl2-N6-O6-S.Cl-H.Cl

Molecular Formula Fragments

  • C36-H49-Cl2-N6-O6-S
  • Cl
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H49Cl2N6O6S.2ClH/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5;;/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3;2*1H/q+1;;/p-1/t29-;;/m0../s1

InChIKey

QIAWOUUTKDMGTE-UJXPALLWSA-M

Smiles

Cl.[Cl-].Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1