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Pamabrom

CAT: 1596-AR-P01132-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01132-03Size:50 Units
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CAS Number
606-04-2
Synonyms
8-bromo-1,3-dimethyl-1H-purine-2,6 (3H,7H) -dione compound with 2-amino-2-methylpropan-1-ol (1:1) ; 8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione 2-Amino-2-methyl-1-propanol; 2-Amino-2-methyl-1-propanol 8-bromotheophyllinate; Predema; Premsyn PMS; Sunril; Diurex
Molecular Formula
C7H7BrN4O2 C4H11NO
Molecular Weight
259.06 89.14
API Name
Pamabrom

Chemical Information

Pamabrom

Pamabrom is a mixture containing 2-amino-2-methyl-1-propanol and 8-bromotheophylline (a methylxanthine) in a 1:1 ratio, with mild diuretic activity.

CAS Number606-04-2
PubChem CID11806
IUPAC Name2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
Molecular FormulaC11H18BrN5O3
Molecular Weight348.20
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity340
SMILES
CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
InChI
InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKey
ATOTUUBRFJHZQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pamabrom
CAS: 606-04-2
CID: 11806
Formula: C11H18BrN5O3
MW: 348.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight348.20
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass347.05930
Monoisotopic Mass347.05930
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes