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3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione structure

CAS No:
10226-54-7
Formula:
C13H18N4O3
Chemical Name:
3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(5-oxohexyl)-;Theophylline,7-(5-oxohexyl)-;3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione;7-(5-Oxohexyl)-1,3-dimethylxanthine;1,3-Dimethyl-7-(5-oxohexyl)xanthine;Cervilane;Lomifylline;1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione;1,3-Dimethyl-7-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Description

1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione is an oxopurine.

3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

278.31

Exact Mass：

278.31

EC Number：

233-547-0

UNII：

NA91GV8GDJ

DSSTox ID：

DTXSID10144848

HScode：

2933990090

Characteristics

PSA：

75.5

XLogP3：

0.32

Density：

1.3±0.1 g/cm3

Melting Point：

75-76 °C

Boiling Point：

525.3±56.0 °C at 760 mmHg

Flash Point：

271.5±31.8 °C

Refractive Index：

1.621

Vapor Pressure：

3.97E-11mmHg at 25°C

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

Cervilane

3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione Use and Manufacturing

Peripheral vasodilators. The compound preparation made with a small dose of dihydroergotoxine is Cervilane, which is used as an anti-cerebral aging drug for the treatment of mental and behavioral disorders and cerebral trauma syndrome caused by cerebral vascular disease and cerebral aging.

Computed Properties

Molecular Weight:278.31
XLogP3:-0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:278.13789045
Monoisotopic Mass:278.13789045
Topological Polar Surface Area:75.5
Heavy Atom Count:20
Complexity:426
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dione

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