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Aminophylline 25g

CAT: 0628-A10066-25000Size: 25000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10066-25000Size:25000 mg
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CAS Number
317-34-0

Chemical Information

Aminophylline

Aminophylline is a mixture comprising of theophylline and ethylenediamine in a 2:1 ratio. It has a role as a bronchodilator agent and a cardiotonic drug. It contains a theophylline and an ethylenediamine.

CAS Number317-34-0
PubChem CID9433
IUPAC Namebis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine
Molecular FormulaC16H24N10O4
Molecular Weight420.43
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity273
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N
InChI
InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
InChIKey
FQPFAHBPWDRTLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminophylline
CAS: 317-34-0
CID: 9433
Formula: C16H24N10O4
MW: 420.43
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.43
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass420.19819929
Monoisotopic Mass420.19819929
Topological Polar Surface Area191 Ų
Heavy Atom Count30
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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