5-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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5-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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CAS No:
66147-31-7
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Formula:
C24H30N8O5
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Chemical Name:
5-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
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Synonyms:
5-monobutyl methotrexate;gamma-MBMTX;NSC 305986;NSC-305986;5-Monobutyl methotrexate;CHEMBL155016;66147-31-7;gamma-Mbmtx;NSC 305986;SCHEMBL14027299;BDBM50028130;NSC305986;NSC-305986;(gamma-n-Bu)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid 5-butyl ester;L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, 5-butyl ester
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CAS No:
5-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid Basic Attributes
510.5 g/mol
510.23391609 g/mol
305986
Computed Properties
Molecular Weight:510.5
XLogP3:-0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:510.23391609
Monoisotopic Mass:510.23391609
Topological Polar Surface Area:200
Heavy Atom Count:37
Complexity:765
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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