[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Modify Date: 2025-09-01 14:30:08

[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Structure
[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate structure
 Common Name [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS Number 4876-45-3 Molecular Weight 424.55400
Density N/A Boiling Point N/A
Molecular Formula C21H32N2O5S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C21H32N2O5S
Molecular Weight 424.55400
Exact Mass 424.20300
PSA 106.84000
LogP 2.99930
InChIKey QPHACUMLBDXKIF-UHFFFAOYSA-M
SMILES CC12CCC(C(S(=O)(=O)[O-])C1=O)C2(C)C.CCN(CC)C(=O)c1ccc[n+](C)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU3874700
CHEMICAL NAME :
Pyridinium, 3-(diethylcarbamoyl)-1-methyl-, 2-oxo-3-bornanesulfonate
CAS REGISTRY NUMBER :
4876-45-3
LAST UPDATED :
198308
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H17-N2-O.C10-H15-O4-S
MOLECULAR WEIGHT :
424.61

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 :
422 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 103,146,1955

 Synonyms

[5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl][5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
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Chemsrc provides CAS#:4876-45-3 MSDS, density, melting point, boiling point, structure, etc. Its name is [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate>> amp version: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

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