Xanthine, 8-butyl-1,3-dimethyl-

Modify Date: 2024-01-04 08:31:12

Xanthine, 8-butyl-1,3-dimethyl- Structure
Xanthine, 8-butyl-1,3-dimethyl- structure
Common Name Xanthine, 8-butyl-1,3-dimethyl-
CAS Number 35873-40-6 Molecular Weight 236.27000
Density 1.251g/cm3 Boiling Point 468.6ºC at 760 mmHg
Molecular Formula C11H16N4O2 Melting Point N/A
MSDS N/A Flash Point 237.2ºC

 Names

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

 Chemical & Physical Properties

Density 1.251g/cm3
Boiling Point 468.6ºC at 760 mmHg
Molecular Formula C11H16N4O2
Molecular Weight 236.27000
Flash Point 237.2ºC
Exact Mass 236.12700
PSA 72.68000
LogP 0.30290
Index of Refraction 1.57

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5000000
CHEMICAL NAME :
Theophylline, 8-butyl-
CAS REGISTRY NUMBER :
35873-40-6
BEILSTEIN REFERENCE NO. :
0235783
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O2
MOLECULAR WEIGHT :
236.31
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C4 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

 Safety Information

HS Code 2933990090

 Synthetic Route

~94%

Xanthine, 8-butyl-1,3-dimethyl- Structure

Xanthine, 8-but...

CAS#:35873-40-6

Literature: Takeda Chemical Industries, Ltd. Patent: EP430300 A2, 1991 ; EP 0430300 A2

~%

Xanthine, 8-butyl-1,3-dimethyl- Structure

Xanthine, 8-but...

CAS#:35873-40-6

Literature: Donat; Carstens Chemische Berichte, 1959 , vol. 92, p. 1500,1502

 Precursor & DownStream

Precursor  1

DownStream  0

 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%

 Synonyms

8-Butyltheophylline
Theophylline,8-butyl
8-butyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
8-n-butyl-1,3-dimethylxanthine
8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine
Xanthine,8-butyl-1,3-dimethyl
8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Butyl-theophyllin
8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
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