Imatinib

CAS Registry Number®

152459-95-5
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CAS Name

Imatinib

Molecular Formula

C29H31N7O

Molecular Mass

493.60

Cite this Page

Imatinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152459-95-5 (retrieved 2024-05-28) (CAS RN: 152459-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

InChIKey

InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N

SMILES

N(C=1N=C(C=CN1)C=2C=CC=NC2)C3=CC(NC(=O)C4=CC=C(CN5CCN(C)CC5)C=C4)=CC=C3C

Canonical SMILES

O=C(NC1=CC=C(C(=C1)NC=2N=CC=C(N2)C3=CN=CC=C3)C)C4=CC=C(C=C4)CN5CCN(C)CC5

Other Names for this Substance

  • Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
  • 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
  • CGP 57148
  • Imatinib
  • 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

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