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Pentifylline

Pentifylline structure

CAS No:
1028-33-7
Formula:
C13H20N4O2
Chemical Name:
Pentifylline
Synonyms:
1H-Purine-2,6-dione,1-hexyl-3,7-dihydro-3,7-dimethyl-;Theobromine,1-hexyl-;1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;Cosaldon;1-Hexyl-3,7-dimethylxanthine;1-Hexyltheobromine;1-n-Hexyl-3,7-dimethyl-xanthine;3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione;SK 7;Pentifylline;Hexyltheobromine;SK 7 (pharmaceutical);Cosadon;1-Hexyl-3,7-dimethylpurine-2,6-dione;1-Hexyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Description

Pentifylline is an oxopurine.

Pentifylline Basic Attributes

Molecular Weight：

264.32

Exact Mass：

264.32

EC Number：

213-842-0

UNII：

MBM1C4K26S

DSSTox ID：

DTXSID2057609

ATC Code：

C - Cardiovascular system

HScode：

2933990090

Characteristics

PSA：

61.82000

XLogP3：

1.01400

Density：

1.23±0.1 g/cm3(Predicted)

Melting Point：

82.5 °C

Boiling Point：

452.5±37.0 °C(Predicted)

Flash Point：

227.5ºC

Refractive Index：

1.602

Vapor Pressure：

2.23E-08mmHg at 25°C

Safety Information

Hazard category：

IRRITANT-HARMFUL

hazard class code：

R22

safety instructions：

22-36/37-36

RTECS Number：

UO8450000

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

hexyltheobromine

Pentifylline Use and Manufacturing

Uses

Stabilizer of vitamin preparations: Nook, Eidebenz, DE 1810705 (1970 to Chem. Werke Albert).

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:264.32
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:264.15862589
Monoisotopic Mass:264.15862589
Topological Polar Surface Area:58.4
Heavy Atom Count:19
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Pentifylline

QUANHUI BIO Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of API & INTERMEDIATE

1-N-HEXYLTHEOBROMINE

Unit Price: $100 /KG EXW

CAS No.: 1028-33-7

Grade: Pharmaceutical Grade

Content: 99%

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