ketotrexate
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ketotrexate
structure -
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CAS No:
52196-22-2
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Formula:
C21H27N7O6
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Chemical Name:
ketotrexate
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Synonyms:
5-methyltetrahydrohomofolicacid;KETOTREXATE;N-[4-[[2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxopteridin-6-yl)ethyl]amino]benzoyl]-L-glutamic acid
- Categories:
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CAS No:
Computed Properties
Molecular Weight:473.5
XLogP3:-0.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:473.20228161
Monoisotopic Mass:473.20228161
Topological Polar Surface Area:199
Heavy Atom Count:34
Complexity:881
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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