Ximelagatran

CAS Registry Number®

192939-46-1

CAS Name

Ximelagatran

Molecular Formula

C24H35N5O5

Molecular Mass

473.57

Cite this Page

Ximelagatran.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=192939-46-1 (retrieved 2024-11-22) (CAS RN: 192939-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1

InChIKey

InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N

SMILES

C([C@H](NCC(OCC)=O)C1CCCCC1)(=O)N2[C@H](C(NCC3=CC=C(C(NO)=N)C=C3)=O)CC2

Canonical SMILES

O=C(OCC)CNC(C(=O)N1CCC1C(=O)NCC2=CC=C(C=C2)C(=N)NO)C3CCCCC3

Other Names for this Substance

  • Glycine, N-[(1R)-1-cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]-, ethyl ester
  • Ximelagatran
  • H 376/95
  • Exanta

CAS INSIGHTSTM
Targeted protein degrader structure, illustration