7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione

Modify Date: 2025-09-18 15:28:01

7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Structure
7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione structure
Common Name 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
CAS Number 72754-67-7 Molecular Weight 419.47600
Density 1.27g/cm3 Boiling Point 640.4ºC at 760 mmHg
Molecular Formula C23H25N5O3 Melting Point N/A
MSDS N/A Flash Point 341.1ºC

 Names

Name 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 640.4ºC at 760 mmHg
Molecular Formula C23H25N5O3
Molecular Weight 419.47600
Flash Point 341.1ºC
Exact Mass 419.19600
PSA 83.08000
LogP 2.21240
Index of Refraction 1.642
InChIKey PSXHWYTZGBOTRY-UHFFFAOYSA-N
SMILES COc1ccc(C(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8425450
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(((4-methoxyphenyl)phen ylmethyl)amino)- ethyl)-
CAS REGISTRY NUMBER :
72754-67-7
BEILSTEIN REFERENCE NO. :
1187164
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H25-N5-O3
MOLECULAR WEIGHT :
419.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 14,383,1979
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