Melagatran
CAS Registry Number®
159776-70-2
No image available.
CAS Name
MelagatranMolecular Formula
C22H31N5O4Molecular Mass
429.51Cite this Page
Melagatran. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=159776-70-2 (retrieved ) (CAS RN: 159776-70-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
InChIKey
InChIKey=DKWNMCUOEDMMIN-PKOBYXMFSA-N
SMILES
C([C@H](NCC(O)=O)C1CCCCC1)(=O)N2[C@H](C(NCC3=CC=C(C(=N)N)C=C3)=O)CC2
Canonical SMILES
O=C(O)CNC(C(=O)N1CCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)C3CCCCC3
Other Names for this Substance
- Glycine, N-[(1R)-2-[(2S)-2-[[[[4-(aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]-
- Glycine, N-[2-[2-[[[[4-(aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]-, [S-(R*,S*)]-
- N-[(1R)-2-[(2S)-2-[[[[4-(Aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]glycine
- Melagatran
