Dimethyl methotrexate

dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Also Known As: Methotrexate Dimethyl Ester|Dimethyl methotrexate|Methotrexate EP Impurity J|METHOTREXATE IMPURITY J [EP IMPURITY]|3-(1-methylindol-3-yl)-3-oxopropanenitrile|METHOTREXATE IMPURITY J (EP IMPURITY)|dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate|(S)-Dimethyl 2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioate|dimethyl n-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-l-glutamate|L-GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-, 1,5-DIMETHYL ESTER|(S)-2-[p-[Methyl[(2,4-diaminopteridine-6-yl)methyl]amino]benzoylamino]pentanedioic acid dimethyl ester|1,5-DIMETHYL (2S)-2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)FORMAMIDO]PENTANEDIOATE|Dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate|Dimethyl (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioate (Methotrexate Dimethyl Ester)|Dimethyl N-(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamate|Dimethyl N-(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate|Glutamic acid, N-(p-(((2,4-diamino-6- pteridinyl)methyl)methylamino)benzoyl)-, dimethyl ester, L-(+)-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, dimethyl ester, L-(+)-|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1,5-dimethyl ester; Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, dimethyl ester, L-(+)- (8CI); L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, dimethyl ester (9CI); Dimethyl methotrexate; Methotrexate dimethyl ester; Methotrexate Imp. J (EP); Methotrexate Impurity J|N-[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]-L-glutamic acid dimethyl ester

Molecular Formula	C22H26N8O5
Molecular Weight	482.2026 g/mol
LogP	0.45
Topological Polar Surface Area	188.54 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	482.2026
Heavy Atoms	35
Complexity	1234.5

Chemical Identifiers

CAS Number	34378-65-9
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC