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

Catalog:	BB032679
Product Name:	Theophylline-7-acetic acid
CAS:	652-37-9
Synonyms:	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Description:	A metabolite of Dyphylline which is a xanthine derivative used to relieve breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema.
Molecular Weight:	238.20
Molecular Formula:	C9H10N4O4
Canonical SMILES:	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
InChI:	InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChI Key:	HCYFGRCYSCXKNQ-UHFFFAOYSA-N
Boiling Point:	269-271 °C
Purity:	> 95 %
Density:	1.64 g/cm³
LogP:	-1.48170

Publication Number	Title	Priority Date
CN-113307617-A	Biological ceramic, preparation method and application	20210604
US-10980756-B1	Methods of treatment	20200316
WO-2021188564-A1	Methods of treating covid-19 with a niclosamide compound	20200316
CN-111443119-A	Redox state detection probe and application thereof	20200225
CN-111228518-A	Probe substrate for in vivo detection of CYP1A activity and application thereof	20200219

PMID	Publication Date	Title	Journal
21383856	20110101	Nanosized rods agglomerates as a new approach for formulation of a dry powder inhaler	International journal of nanomedicine
22069649	20100601	Molecularly imprinted polymers for ochratoxin a extraction and analysis	Toxins
17695695	20070601	Acebrophylline: an airway mucoregulator and anti-inflammatory agent	Monaldi archives for chest disease = Archivio Monaldi per le malattie del torace
17455344	20070501	Solid-state chemistry of ambroxol theophylline-7-acetate	Journal of pharmaceutical sciences
17046190	20070219	Development and validation of chemometrics-assisted spectrophotometric and liquid chromatographic methods for the simultaneous determination of two multicomponent mixtures containing bronchodilator drugs	Journal of pharmaceutical and biomedical analysis

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Purines

[148238-36-2]
9-(prop-2-yn-1-yl)-9H-purin-6-amine
[1273315-19-7]
2-Chloro-7-methyl-7H-purin-8(9H)-one
[1904-98-9]
2,6-Diaminopurine
[937599-53-6]
[9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
[309947-88-4]
Tert-butyl N-(7H-purin-6-yl)carbamate
[652-37-9]
Theophylline-7-acetic acid

GHS Hazard Statement:	H302 (19.23%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	385
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.07020481
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.07020481
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8