7-Hydroxydichloromethotrexate

(2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Also Known As: 7-Hydroxydichloromethotrexate|7-Hdcm|(2S)-2-[[3,5-dichloro-4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|(3,5-dichloro-4-(((2,4-diamino-7-oxo-1,7-dihydropteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid|L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-|N-(3,5-Dichloro-4-{[(2,4-diamino-7-oxo-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid

Molecular Formula	C20H20Cl2N8O6
Molecular Weight	538.08826 g/mol
LogP	0.8685
Topological Polar Surface Area	230.51 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	538.08826
Monoisotopic Mass	538.08826
Heavy Atoms	36
Complexity	1406.3131

Chemical Identifiers

CAS Number	751-75-7
SMILES	CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl