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Substance Name: BMS-191095 hydrochloride
RN: 166095-95-0
UNII: 3I2CFR0UVU
InChIKey: TZLMTXNZECPICU-JUDYQFGCSA-N

Molecular Formula

  • C22-H21-Cl-N4-O2.Cl-H

Molecular Weight

  • 445.3417
 
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Names and Synonyms

Name of Substance

  • BMS-191095 hydrochloride

Synonyms

  • 2H-1-Benzopyran-6-carbonitrile, 4-((4-chlorophenyl)(1H-imidazol-2-ylmethyl)amino)-3,4-dihydro-3-hydroxy-2,2-dimethyl-, monohydrochloride, (3R,4S)-
  • 4-((4-Chlorophenyl)(1H-imidazol-2-ylmethyl)amino)-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile hydrochloride (3R-trans)
  • BMS-191095 hydrochloride
  • UNII-3I2CFR0UVU

Registry Numbers

CAS Registry Number

  • 166095-95-0

FDA UNII

  • 3I2CFR0UVU

System Generated Number

  • 0166095950

Structure Descriptors

InChI

1S/C22H21ClN4O2.ClH/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16;/h3-11,20-21,28H,13H2,1-2H3,(H,25,26);1H/t20-,21+;/m0./s1

InChIKey

TZLMTXNZECPICU-JUDYQFGCSA-N

Smiles

Cl.CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc3ncc[nH]3)c4ccc(Cl)cc4)C#N