Aplaviroc

CAS Registry Number®

461443-59-4

CAS Name

Aplaviroc

Molecular Formula

C33H43N3O6

Molecular Mass

577.71

Cite this Page

Aplaviroc.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=675184-11-9 (retrieved 2024-12-26) (CAS RN: 461443-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H43N3O6/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)/t28-,29-/m1/s1

InChIKey

InChIKey=GWNOTCOIYUNTQP-FQLXRVMXSA-N

SMILES

C(CCC)N1C2(C(=O)N[C@]([C@H](O)C3CCCCC3)(C1=O)[H])CCN(CC4=CC=C(OC5=CC=C(C(O)=O)C=C5)C=C4)CC2

Canonical SMILES

O=C(O)C1=CC=C(OC2=CC=C(C=C2)CN3CCC4(C(=O)NC(C(=O)N4CCCC)C(O)C5CCCCC5)CC3)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-
  • 4-[4-[[(3R)-1-Butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]benzoic acid
  • AK 602
  • GW 873140
  • ONO 4128

View All

Deleted or Replaced CAS Registry Numbers

675184-11-9, 674782-28-6

CAS INSIGHTSTM
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