Theodrenaline (CAS 13460-98-5) — formula C17H21N5O5, molecular weight 375.4; category organic chemicals.
| CAS Number | 13460-98-5 |
|---|---|
| Molecular Formula | C17H21N5O5 |
| Molecular Weight | 375.4 |
| LogP | -0.8 |
| Applications | Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 22 |
| Category | Organic Chemicals |
Documented applications: Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 22.
Theodrenaline is a carbon-based organic compound with CAS registry number 13460-98-5 and molecular formula C17H21N5O5 (molecular weight 375.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13460-98-5
Its molecular formula C17H21N5O5 comprises 17 C, 21 H, 5 N, 5 O atoms.
Also known as: Theodrenaline · 茶碱那林
Category: organic chemicals
The CAS registry number of Theodrenaline is 13460-98-5.
Molecular formula C17H21N5O5, molecular weight 375.4.
It is also registered under: Theodrenaline, 茶碱那林.
Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 22.
Category: Organic Chemicals.
Independent reference data for Theodrenaline (CAS 13460-98-5), compiled from public chemistry databases.
| CAS 号 | 13460-98-5 |
|---|---|
| PubChem CID | 71857 |
| 分子式 | C17H21N5O5 |
| IUPAC 名称 | 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione |
| UNII（FDA） | RW8PD99T8G |
| Molecular Weight | 375.4 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 375.15426879 |
| Monoisotopic Mass | 375.15426879 |
| Topological Polar Surface Area | 131 |
| Heavy Atom Count | 27 |
Theodrenaline; 13460-98-5; Teodrenalina; Noradrenaline theophylline; Theodrenalina; Theodrenalinum; RW8PD99T8G; 7-(2-(2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)ethyl)theophylline; 7-(2-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; RefChem:897612; C01CA23; 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione; Theodrenaline (INN); 7-(2-(2-(3,4-Dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline; THEODRENALINE [INN]; Norphedrinoethyltheophylline
茶碱那林 · CAS 13460-98-5 · C17H21N5O5. UNII RW8PD99T8G.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 茶碱那林