CAS 5438-71-1|1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-

Introduction：Basic information about CAS 5438-71-1|1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-, 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. Articles1
7. Synonyms

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	/
MSDS	ChineseUSA	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
InChIKey	NGBYKZGOXFIONW-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(C)c1=O

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

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

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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