Anacetrapib

CAS Registry Number®

875446-37-0
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CAS Name

Anacetrapib

Molecular Formula

C30H25F10NO3

Molecular Mass

637.51

Cite this Page

Anacetrapib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=875446-37-0 (retrieved 2024-04-20) (CAS RN: 875446-37-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    60-61 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1

InChIKey

InChIKey=MZZLGJHLQGUVPN-HAWMADMCSA-N

SMILES

C(C1=C(C=CC(C(F)(F)F)=C1)C2=C(OC)C=C(F)C(C(C)C)=C2)N3[C@@H](C)[C@H](OC3=O)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4

Canonical SMILES

O=C1OC(C=2C=C(C=C(C2)C(F)(F)F)C(F)(F)F)C(N1CC3=CC(=CC=C3C=4C=C(C(F)=CC4OC)C(C)C)C(F)(F)F)C

Other Names for this Substance

  • 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4′-fluoro-2′-methoxy-5′-(1-methylethyl)-4-(trifluoromethyl)[1,1′-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)-
  • (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[4′-fluoro-2′-methoxy-5′-(1-methylethyl)-4-(trifluoromethyl)[1,1′-biphenyl]-2-yl]methyl]-4-methyl-2-oxazolidinone
  • (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[4′-fluoro-5′-isopropyl-2′-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
  • Anacetrapib
  • MK 0859

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