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Substance Name: Vicriviroc maleate [USAN]
RN: 599179-03-0
UNII: EP3QG127N9
InChIKey: GXINKQQWHLIBJA-UCIBKFKQSA-N

Classification Codes

  • Antiviral
  • Antiviral, CCR5 Antagonist, Treatment of Autoimmune Conditions
  • CCR5 Antagonist
  • Treatment of Autoimmune Conditions

Molecular Formula

  • C28-H38-F3-N5-O2.C4-H4-O4

Molecular Weight

  • 649.7068
 
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Names and Synonyms

Name of Substance

  • Vicriviroc maleate [USAN]

Synonyms

  • 1-((4,6-Dimethylpyrimidin-5-yl)carbonyl)-4-((3S)-4-((1R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine (2Z)-but-2-enedioate
  • SCH 417690
  • SCH-D
  • UNII-EP3QG127N9
  • Vicriviroc maleate

Systematic Name

  • Piperidine, 1-((4,6-dimethyl-5-pyrididinyl)carbonyl)-4-((3S)-4-((1R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methyl-1-piperazinyl)-4-methyl-, (2Z)-2-butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 599179-03-0

FDA UNII

  • EP3QG127N9

System Generated Number

  • 0599179030

Molecular Formulas

Molecular Formula

  • C28-H38-F3-N5-O2.C4-H4-O4

Molecular Formula Fragments

  • C28-H38-F3-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38F3N5O2.C4H4O4/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1

InChIKey

GXINKQQWHLIBJA-UCIBKFKQSA-N

Smiles

c1(c(ncnc1C)C)C(=O)N1CCC(CC1)(N1CCN([C@H](C1)C)[C@H](c1ccc(cc1)C(F)(F)F)COC)C.C(=C\C(=O)O)\C(=O)O