N-[4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-L-GLUTAMIC ACID DISODIUM SALT HYDRATE

CAS号
357166-29-1
CCD编号
CCD08222413
分子式
C20 H19 N5 O6 . 2 Na . H2 O
分子量
489.394

基本信息

产品名称: N-[4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-L-GLUTAMIC ACID DISODIUM SALT HYDRATE
CAS: 357166-29-1
英文同义词: N-[4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-L-GLUTAMIC ACID DISODIUM SALT HYDRATE ; PEMETREXED DISODIUM HEPTHYDRATE
MDL号: MFCD09263275
氢键受体数量: 11
氢键供体数量: 4
Smile: c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
InChi: InChI=1S/C20H21N5O6.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t13-;;;/m0.../s1
InChiKey: InChIKey=WKRYSCOBVCNZSQ-JEZXJMRTSA-L

* If the product has intellectual property rights, a license granted is must or contact us.