Catalog Number:
AG001MKI
Chemical Name:
Pemetrexed disodium
CAS Number:
150399-23-8
Molecular Formula:
C20H19N5Na2O6
Molecular Weight:
471.3743
MDL Number:
MFCD08458870
IUPAC Name:
disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
InChI:
InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1
InChI Key:
NYDXNILOWQXUOF-GXKRWWSZSA-L
SMILES:
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N.[Na+].[Na+]
EC Number:
604-733-2
UNII:
2PKU919BA9
