Nintedanib esylate

CAS Registry Number®

656247-18-6

CAS Name

Nintedanib esylate

Molecular Formula

C31H33N5O4.C2H6O3S

Cite this Page

Nintedanib esylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=656247-18-6 (retrieved 2024-11-22) (CAS RN: 656247-18-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;

InChIKey

InChIKey=MMMVNAGRWOJNMW-FJBFXRHMSA-N

SMILES

C(\NC1=CC=C(N(C(CN2CCN(C)CC2)=O)C)C=C1)(=C\3/C=4C(NC3=O)=CC(C(OC)=O)=CC4)/C5=CC=CC=C5.S(CC)(=O)(=O)O

Canonical SMILES

O=C(OC)C1=CC=C2C(=C1)NC(=O)C2=C(NC3=CC=C(C=C3)N(C(=O)CN4CCN(C)CC4)C)C=5C=CC=CC5.O=S(=O)(O)CC

Other Names for this Substance

  • 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-, ethanesulfonate (1:1)
  • 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-, monoethanesulfonate
  • Nintedanib esylate
  • Nintedanib ethanesulfonate

Deleted or Replaced CAS Registry Numbers

2036139-29-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration