1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-

Modify Date: 2024-01-09 15:20:09

1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Structure
1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- structure
Common Name 1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS Number 5438-71-1 Molecular Weight 266.25300
Density 1.451g/cm3 Boiling Point 613.3ºC at 760mmHg
Molecular Formula C11H14N4O4 Melting Point N/A
MSDS Chinese USA Flash Point 324.7ºC

 Names

Name 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.451g/cm3
Boiling Point 613.3ºC at 760mmHg
Molecular Formula C11H14N4O4
Molecular Weight 266.25300
Flash Point 324.7ºC
Exact Mass 266.10200
PSA 109.98000
Index of Refraction 1.609

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5060000
CHEMICAL NAME :
Theophylline-8-butyric acid
CAS REGISTRY NUMBER :
5438-71-1
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-N4-O4
MOLECULAR WEIGHT :
266.29
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C3VQ F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04358

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
RTECS XH5060000
HS Code 2933990090

 Synthetic Route

~%

1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Structure

1H-Purine-8-but...

CAS#:5438-71-1

Literature: Hyperion, Inc. Patent: US6060598 A1, 2000 ;

~%

1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Structure

1H-Purine-8-but...

CAS#:5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

~%

1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Structure

1H-Purine-8-but...

CAS#:5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

~%

1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo- Structure

1H-Purine-8-but...

CAS#:5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

 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%

 Articles1

More Articles
Theophylline radioimmunoassay: synthesis of antigen and characterization of antiserum.

Res. Commun. Chem. Pathol. Pharmacol. 13 , 497, (1976)

Antisera to theophylline (T) have been obtained by immunizing rabbits with a conjugate of 8-(3-carboxypropyl)-1,3-dimethylxanthine and bovine serum albumin. Comparison of 50% displacement values indic...

 Synonyms

4-(1,3-dimethylxanth-8-yl)butyric acid
8-Theophyllinebutyric acid
8-carboxypropyltheophylline
8-(3-Carboxypropyl)-1,3-dimethylxanthine
1H-Purine-8-butanoic acid,2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo
8-(3-carboxypropyl)-theophylline
Theophylline-8-butyric acid
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