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Bamifylline

CAT: 1596-AR-B01029-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01029-03Size:50 Units
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CAS Number
2016-63-9
Synonyms
8-benzyl-7- (2- (ethyl (2-hydroxyethyl) amino) ethyl) -1,3-dimethyl-1H-purine-2,6 (3H,7H) -dione; 8012CB; 8102 CB; 8'-Benzyl-7- (2-[ethyl (2-hydroxyethyl) amino]ethyl) theophylline; Bamiphylline; Benzetamophylline; Benzethamophylline
Molecular Formula
C20H27N5O3
Molecular Weight
385.47
API Name
Bamifylline

Chemical Information

Bamifylline

Bamifylline is an oxopurine.

CAS Number2016-63-9
PubChem CID16229
IUPAC Name8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC20H27N5O3
Molecular Weight385.5
XLogP1.2
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity554
SMILES
CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO
InChI
InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3
InChIKey
VVUYEFBRTFASAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bamifylline
CAS: 2016-63-9
CID: 16229
Formula: C20H27N5O3
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass385.21138974
Monoisotopic Mass385.21138974
Topological Polar Surface Area81.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
442101-01Bamifylline
HY-121453Bamifylline (hydrochloride)
RM-B101001-01Bamifylline Impurity1
FB170638Bamifylline hydrochloride
HY-121453RBamifylline (hydrochloride) (Standard)

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