Bafetinib

CAS Registry Number®

859212-16-1

CAS Name

Bafetinib

Molecular Formula

C30H31F3N8O

Molecular Mass

576.62

Cite this Page

Bafetinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=859212-16-1 (retrieved 2024-12-03) (CAS RN: 859212-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1

InChIKey

InChIKey=ZGBAJMQHJDFTQJ-DEOSSOPVSA-N

SMILES

C(C1=C(C(F)(F)F)C=C(C(NC2=CC(NC=3N=C(C=CN3)C=4C=NC=NC4)=C(C)C=C2)=O)C=C1)N5C[C@@H](N(C)C)CC5

Canonical SMILES

O=C(NC1=CC=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CN=C3)C)C4=CC=C(C(=C4)C(F)(F)F)CN5CCC(N(C)C)C5

Other Names for this Substance

  • Benzamide, N-[3-([4,5′-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-
  • N-[3-([4,5′-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
  • NS 187
  • INNO 406
  • Bafetinib

CAS INSIGHTSTM
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