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Home Other Building Blocks 7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE

7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE

CAS No.:
17140-68-0
Catalog Number:
AG0037OC
Molecular Formula:
C13H22ClN5O2
Molecular Weight:
315.7991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$913
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Product Description
Catalog Number:
AG0037OC
Chemical Name:
7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
CAS Number:
17140-68-0
Molecular Formula:
C13H22ClN5O2
Molecular Weight:
315.7991
MDL Number:
MFCD01682338
IUPAC Name:
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
InChI:
InChI=1S/C13H21N5O2.ClH/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;/h9H,5-8H2,1-4H3;1H
InChI Key:
WZNIVRAEOQQUIB-UHFFFAOYSA-N
SMILES:
CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC.Cl
EC Number:
241-204-1
UNII:
66ZCZ8Z4HE
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.146g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.802g/mol
Monoisotopic Mass:
315.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Identification of etamiphylline and metabolites in equine plasma and urine by accurate mass and liquid chromatography/tandem mass spectrometry. Drug testing and analysis 20100601
N-deethylation and N-oxidation of etamiphylline: identification of etamiphylline-N-oxide in greyhound urine by high performance liquid chromatography-mass spectrometry. Journal of pharmaceutical and biomedical analysis 20050104
The pharmacokinetics, metabolism and urinary detection time of etamiphylline in camels after intramuscular administration. Journal of veterinary pharmacology and therapeutics 20020201
Properties