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652-37-9,MFCD00022832
Catalog No.:AA00E8JD

652-37-9 | Theophylline-7-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
99+%
in stock  
$6.00   $4.00
- +
5g
95%
in stock  
$18.00   $13.00
- +
25g
>98.0%(T)(HPLC)
in stock  
$36.00   $25.00
- +
500g
95%
in stock  
$607.00   $425.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00E8JD
Chemical Name:
Theophylline-7-acetic acid
CAS Number:
652-37-9
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
MDL Number:
MFCD00022832
SMILES:
OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
NSC Number:
52996
Properties
Properties
 
BP:
555.7°C at 760 mmHg  
Form:
Solid  
MP:
270-272 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
385  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.8  

Literature

Title: Nanosized rods agglomerates as a new approach for formulation of a dry powder inhaler.

Journal: International journal of nanomedicine 20110101

Title: Molecularly imprinted polymers for ochratoxin a extraction and analysis.

Journal: Toxins 20100601

Title: Acebrophylline: an airway mucoregulator and anti-inflammatory agent.

Journal: Monaldi archives for chest disease = Archivio Monaldi per le malattie del torace 20070601

Title: Solid-state chemistry of ambroxol theophylline-7-acetate.

Journal: Journal of pharmaceutical sciences 20070501

Title: Development and validation of chemometrics-assisted spectrophotometric and liquid chromatographic methods for the simultaneous determination of two multicomponent mixtures containing bronchodilator drugs.

Journal: Journal of pharmaceutical and biomedical analysis 20070219

Title: Esterification of 7-theophyllineacetic acid with diethylene glycol monomethyl ether.

Journal: Acta pharmaceutica (Zagreb, Croatia) 20060601

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.

Journal: Journal of medicinal chemistry 20020523

Title: Ferretti C, et al. Inhibitory effect of theophylline, theophylline-7-acetic acid, ambroxol and ambroxol-theophylline-7-acetate on rat lung cAMP phosphodiesterase isoenzymes. Int J Tissue React. 1992;14(1):31-6.

Title: Méchin MC, et, al. Acefylline activates filaggrin deimination by peptidylarginine deiminases in the upper epidermis. J Dermatol Sci. 2016 Feb;81(2):101-6.

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SDS
Tags:652-37-9 Molecular Formula|652-37-9 MDL|652-37-9 SMILES|652-37-9 Theophylline-7-acetic acid