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Substance Name: Aplaviroc hydrochloride [USAN]
RN: 461023-63-2
UNII: 04D148Z3VR
InChIKey: QNNBMSGFNQRUEH-PQQSRXGVSA-N

Note

  • A spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1.

Molecular Formula

  • C33-H43-N3-O6.Cl-H

Molecular Weight

  • 614.1786
 

Classification Code

  • Treatment of HIV Infection
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Names and Synonyms

Name of Substance

  • Aplaviroc hydrochloride [USAN]

Synonyms

  • 4-(4-(((3R)-1-Butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)benzoic acid hydrochloride
  • Aplaviroc HCl
  • Aplaviroc hydrochloride
  • GW873140A
  • UNII-04D148Z3VR

Systematic Name

  • Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9- triazaspiro(5.5)undec-9-yl)methyl)phenoxy)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 461023-63-2

FDA UNII

  • 04D148Z3VR

System Generated Number

  • 0461023632

Molecular Formulas

Molecular Formula

  • C33-H43-N3-O6.Cl-H

Molecular Formula Fragments

  • C33-H43-N3-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1

InChIKey

QNNBMSGFNQRUEH-PQQSRXGVSA-N

Smiles

CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(Oc2ccc(cc2)C(=O)O)cc1)[C@@H](C1CCCCC1)O.Cl