dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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CAS No:
34378-65-9
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Formula:
C22H26N8O5
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Chemical Name:
dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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Synonyms:
Dimethyl methotrexate;Methotrexate Dimethyl Ester;UNII-069DRA2V4U;34378-65-9;dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate;069DRA2V4U;CHEMBL3245816;SCHEMBL19918280;DTXSID60955926;BDBM50290153;ZINC22062147;Q27236188;Dimethyl (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]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)glutamate;Glutamic acid, N-(p-(((2,4-diamino-6- pteridinyl)methyl)methylamino)benzoyl)-, dimethyl ester, L-(+)-
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CAS No:
dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Basic Attributes
482.5 g/mol
482.20261596 g/mol
069DRA2V4U
Computed Properties
Molecular Weight:482.5
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:482.20261596
Monoisotopic Mass:482.20261596
Topological Polar Surface Area:189
Heavy Atom Count:35
Complexity:735
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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