1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)

Modify Date: 2026-07-17 11:56:46

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1) Structure
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1) structure
Common Name 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)
CAS Number 3485-82-3 Molecular Weight 202.14600
Density N/A Boiling Point 271.1ºC at 760mmHg
Molecular Formula C7H7N4NaO2 Melting Point N/A
MSDS N/A Flash Point 117.8ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point 271.1ºC at 760mmHg
Molecular Formula C7H7N4NaO2
Molecular Weight 202.14600
Flash Point 117.8ºC
Exact Mass 202.04700
PSA 69.78000
InChIKey QVGLHVDBDYLFON-UHFFFAOYSA-M
SMILES Cn1c(=O)c2[n-]cnc2n(C)c1=O.[Na+]

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6700000
CHEMICAL NAME :
Theophylline, sodium deriv.
CAS REGISTRY NUMBER :
3485-82-3
LAST UPDATED :
199712
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H8-N4-O2.Na
MOLECULAR WEIGHT :
203.18
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ F1 H1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
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: 35,266,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
445 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4325956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
189 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
171 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,335,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
192 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,649,1954

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2933990090

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  0

DownStream  2

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-,sodium salt
sodium salt of theophylline
Einecs 222-472-9
1,3-DIMETHYLXANTHINE SODIUM SALT
sodium thiophyllinate
heophylline,sodium deriv.
6-dione,3,7-dihydro-1,3-dimethyl-1h-purine-sodium salt
Theophyllinesodiumsalt
sodium theophylline
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-,sodium salt (1:1)

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt have?
A: English synonyms of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt: 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-,sodium salt, sodium salt of theophylline, Einecs 222-472-9, 1,3-DIMETHYLXANTHINE SODIUM SALT, sodium thiophyllinate, heophylline,sodium deriv., 6-dione,3,7-dihydro-1,3-dimethyl-1h-purine-sodium salt, Theophyllinesodiumsalt, sodium theophylline, 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-,sodium salt (1:1).
Q: What is the CAS number of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: CAS number of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is 3485-82-3.
Q: What are the downstream products of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: Related downstream products(CAS) of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt: 137046-51-6;59663-15-9.
Q: What is the boiling point of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: Boiling point of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is 271.1ºC at 760mmHg.
Q: What is the molecular weight of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: Molecular weight of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is 202.14600.
Q: What is the polar surface area (PSA) of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: Polar surface area (PSA) of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is 69.78000.
Q: What is the SMILES notation of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: SMILES notation of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is Cn1c(=O)c2[n-]cnc2n(C)c1=O.[Na+].
Q: What is the Chinese name of 3485-82-3?
A: Chinese name of 3485-82-3 is 3485-82-3.
Q: What is the English name of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: The English name of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt.
Q: What is the molecular formula of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt?
A: Molecular formula of 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium salt is C7H7N4NaO2.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

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