甲氨蝶呤杂质E(70844-48-3)名称与标识符
名称
中文别名：
甲氨蝶呤杂质E;氨甲叶酸杂质E;甲氨蝶呤相关物质E USP标准品;
英文别名：
Methotrexate Related Compound E;4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid,hydrochloride;4-Amino-4-deoxy-N10-methylpteroic acid,hemihydrochloride;Benzoic acid,4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-,hydrochloride (2:1);Methotrexate related compound E [USP];UNII-037BJM6602;4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoic acid hemihydrochloride;SCHEMBL1230259;037BJM6602;WWFYKUISNIJHNQ-UHFFFAOYSA-N;4-Amino-4-deoxy-N10-methylpteroic acid, hemihydrochloride;METHOTREXATE RELATED COMPOUND E (50 MG) (4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOIC ACID, HEMIHYDROCHLORIDE);4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid;hydrochloride;Q27247537;hemihydrochloride4-amino-4-deoxy-N10-methylpteroic acid;4-[N-(2,4-diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride;70844-48-3;Benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-, hydrochloride (2:1);
标识符
InChIKey：
WWFYKUISNIJHNQ-UHFFFAOYSA-N
Inchi：
1S/2C15H15N7O2.ClH/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H
SMILES：
Cl.OC(C1C=CC(=CC=1)N(C)CC1C=NC2=C(C(N)=NC(N)=N2)N=1)=O.OC(C1C=CC(=CC=1)N(C)CC1C=NC2=C(C(N)=NC(N)=N2)N=1)=O
2885409691 
