2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid
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![2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/32efcc71ca01468cb3a7fbb760ce360d.png "2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid")
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid
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CAS No:
67036-48-0
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Formula:
C21H25N9O4
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Chemical Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid
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Synonyms:
methotrexate-gamma-methylamide;CHEMBL56533;67036-48-0;Methotrexate-gamma-methylamide;SCHEMBL21257733;BDBM50028539;NSC278186;NSC 278186;NSC-278186;L-Glutamine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N-methyl-;L-Glutamine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-methyl-;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-methylcarbamoyl-butyric acid
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CAS No:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid Basic Attributes
467.5 g/mol
467.20295031 g/mol
278186
Computed Properties
Molecular Weight:467.5
XLogP3:-2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:467.20295031
Monoisotopic Mass:467.20295031
Topological Polar Surface Area:202
Heavy Atom Count:34
Complexity:718
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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