1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
Names
[ CAS No. ]:
5438-71-1
[ Name ]:
1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
[Synonym ]:
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
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
Precursor & DownStream
Precursor
DownStream
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%
Articles
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...