Melagatran hydroxyamidine

CAS Registry Number®

192939-72-3

CAS Name

Melagatran hydroxyamidine

Molecular Formula

C22H31N5O5

Molecular Mass

445.51

Cite this Page

Melagatran hydroxyamidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=192939-72-3 (retrieved 2024-11-24) (CAS RN: 192939-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31N5O5/c23-20(26-32)16-8-6-14(7-9-16)12-25-21(30)17-10-11-27(17)22(31)19(24-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,24,32H,1-5,10-13H2,(H2,23,26)(H,25,30)(H,28,29)/t17-,19+/m0/s1

InChIKey

InChIKey=NIPUHXUEGZHFLD-PKOBYXMFSA-N

SMILES

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

Canonical SMILES

O=C(O)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]-
  • N-[(1R)-1-Cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine
  • Melagatran hydroxyamidine
  • N-Hydroxymelagatran

CAS INSIGHTSTM
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