CAS Number10226-54-7
Synonyms7-(5-Oxohexyl)theophylline; lomifylline; 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione; 1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione; 1,2,3,6-Tetrahydro-1,3-dimethyl-7-(5-oxohexyl)purin-2,6-dion; 1,3-Dimethyl-7-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
Molecular FormulaC13H18N4O3
Molecular Weight278.307
Purity98%
Density1.3±0.1 g/cm3
Boiling Point525.3±56.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10226-54-7 |
| Catalog No. | 2A-9011222 |
| Chinese Name | 洛米茶碱 |
| Synonyms | 7-(5-Oxohexyl)theophylline; lomifylline; 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione; 1,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione; 1,2,3,6-Tetrahydro-1,3-dimethyl-7-(5-oxohexyl)purin-2,6-dion; 1,3-Dimethyl-7-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.307 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 525.3±56.0 °C at 760 mmHg |
| HTC | 2933990090 |
| SMILES | CC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C |
| InChI | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3 |
| InChI Key | XBEDAMVJWVPVDS-UHFFFAOYSA-N |
| Use of | Properties Name Lomifylline Synonym More Synonyms Chemical & Physical Properties Molecular Formula C13H18N4O3 Exact Mass 278.137878 PSA 78.89000 Index of Refraction 1.621 InChIKey XBEDAMVJWVPVDS-UHFFFAOYSA-N Safety Information HS Code 2933990090 Synthetic Route 1-Hexen-5-one CAS#:109-49-9 lomifylline CAS#:10226-54-7 Literature: Journal of Medicinal Chemistry, , vol. 42, # 14 p. 2527 - 2534 2-(but-3-en-1-y... CAS#:20449-21-2 lomifylline CAS#:10226-54-7 Literature: Journal of Medicinal Chemistry, , vol. 42, # 14 p. 2527 - 2534 2-Methyl-1,3-di... CAS#:5745-75-5 lomifylline CAS#:10226-54-7 Literature: Journal of Medicinal Chemistry, , vol. 42, # 14 p. 2527 - 2534 Precursor & DownStream Precursor 3 CAS#:109-49-9 1-Hexen-5-one CAS#:5745-75-5 2-Methyl-1,3-di... CAS#:71280-22-3 4-(2-methyl-1,3... DownStream 1 CAS#:53547-04-9 7-(5-hydroxyhex... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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