dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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![dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d8a96a9979d94d7ea42a93582f174099.png "dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate")
dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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CAS No:
50602-77-2
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Formula:
C28H38N8O5
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Chemical Name:
dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
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Synonyms:
Glutamic acid,N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-,dibutyl ester,L-(+); Methotrexate di-n-butyl ester; dibutyl n-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate; 2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-glutamic acid dibutyl ester; Dibutyl methotrexate; Dbmtx;Expand
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CAS No:
dibutyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Basic Attributes
566.65200
566.29651634 g/mol
305985
Computed Properties
Molecular Weight:566.7
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:17
Exact Mass:566.29651634
Monoisotopic Mass:566.29651634
Topological Polar Surface Area:189
Heavy Atom Count:41
Complexity:827
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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