CAS 961-45-5|8-PHENYLTHEOPHYLLINE

Introduction：Basic information about CAS 961-45-5|8-PHENYLTHEOPHYLLINE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles32
7. Synonyms

Common Name	8-PHENYLTHEOPHYLLINE
CAS Number	961-45-5	Molecular Weight	256.26000
Density	1.361g/cm3	Boiling Point	517.7ºC at 760mmHg
Molecular Formula	C₁₃H₁₂N₄O₂	Melting Point	>300ºC(lit.)
MSDS	ChineseUSA	Flash Point	266.9ºC

Names

Name	1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.361g/cm3
Boiling Point	517.7ºC at 760mmHg
Melting Point	>300ºC(lit.)
Molecular Formula	C₁₃H₁₂N₄O₂
Molecular Weight	256.26000
Flash Point	266.9ºC
Exact Mass	256.09600
PSA	72.68000
LogP	0.62730
Index of Refraction	1.639
InChIKey	PJFMAVHETLRJHJ-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO8445700

CHEMICAL NAME :: 1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-

CAS REGISTRY NUMBER :: 961-45-5

LAST UPDATED :: 199803

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H12-N4-O2

MOLECULAR WEIGHT :: 256.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5032593

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	UO8445700
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles32

Chemical genetics reveals a complex functional ground state of neural stem cells.

Nat. Chem. Biol. 3(5) , 268-273, (2007)

The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc...

Effects of A2BR on the biological behavior of mouse renal fibroblasts during hypoxia.

Mol. Med. Report. 11 , 4397-402, (2015)

Fibroblasts are the effector cells of collagen secretion in renal interstitial fibrosis (RIF), and their proliferation and activation are essential for the development of RIF. Hypoxic ischemia in loca...

Opposing effects of ATP and adenosine on barrier function of rat coronary microvasculature.

J. Mol. Cell. Cardiol. 52(5) , 962-70, (2012)

ATP can differentially affect the micro- and macrovascular endothelial barrier. It has been shown that it can both increase and/or decrease macromolecule permeability of microvascular endothelial cell...

Synonyms

1,3-dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione

Theophylline,8-phenyl

MFCD00005582

1H-Purine-2,6-dione,2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl

Lopac-P-2278

1,3-dimethyl-7-phenylxanthine

1,3-dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione

8-Phenyltheophylline

1,3-Dimethyl-8-phenylxanthine

1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione

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