2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid
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![2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0950c620b13c4f98b7c5cb620c52e4b3.png "2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid")
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid
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CAS No:
95755-20-7
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Formula:
C20H21FN8O5
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Chemical Name:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid
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Synonyms:
F-MTX;fluoresceinated methotrexate;FMTX;gamma-fluoromethotrexate;MTX-F;N(alpha)-(4-amino-4-deoxy-N(10)--methylpteroyl-N(epsilon)-4'-fluoresceinthiocarbamoyl)-L-lysine trihydrate;PT 430;PT-430;PT430 cpd;gamma-Fluoromethotrexate;95755-20-7;CHEMBL160505;2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid;FMTX;DTXSID40914819;BDBM50049155;2-[[4-[Methyl(2,4-diamino-6-pteridinylmethyl)amino]benzoyl]amino]-4-fluoropentanedioic acid;Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-4-fluoro-;2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-fluoro-pentanedioic acid;N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-4-fluoroglutamic acid
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CAS No:
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid Basic Attributes
472.4 g/mol
472.16189396 g/mol
Computed Properties
Molecular Weight:472.4
XLogP3:-1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:472.16189396
Monoisotopic Mass:472.16189396
Topological Polar Surface Area:211
Heavy Atom Count:34
Complexity:740
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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