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1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione

1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione structure

CAS No:
63908-26-9
Formula:
C14H22N4O2
Chemical Name:
1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione
Synonyms:
1-isoamyl-3-isobutylxanthine;3-isobutyl-1-isoamylxanthine;1-Isoamyl-3-isobutylxanthine;UNII-976SW405SB;63908-26-9;CHEMBL20613;976SW405SB;3-Isobutyl-1-isoamylxanthine;SCHEMBL10579248;DTXSID30213606;1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione;ZINC5114421;BDBM50018154;Q27271973;3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)-

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1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

278.35 g/mol

Exact Mass：

278.17427596 g/mol

UNII：

976SW405SB

DSSTox ID：

DTXSID30213606

Characteristics

PSA：

69.3 Å²

Drug Information

MeSH Entry Terms：

1-isoamyl-3-isobutylxanthine

Computed Properties

Molecular Weight:278.35
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:278.17427596
Monoisotopic Mass:278.17427596
Topological Polar Surface Area:69.3
Heavy Atom Count:20
Complexity:383
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lithium sulfate; phenol red; methanethiol; valeraldehyde; clopidogrel bisulfate 75 mg; carbonyl sulfide

Guide of 1-(3-methylbutyl)-3-(2-methylpropyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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