1,7-dimethylxanthine
(QUNWUDVFRNGTCO-UHFFFAOYSA-N)
Structure
- SMILES
- Cn1cnc2c1c(=O)n(c(=O)[nH]2)C
- Molecular Formula:
- C7H8N4O2
- Molecular Weight:
- 180.164
- Log P:
- -1.0397
- Hydrogen Bond Acceptor:
- 5
- Hydrogen Bond Donor:
- 1
- TPSA:
- 72.68
- CAS Number(s):
- 611-59-6
Synonym(s)
1.
1,7-dimethylxanthine
2.
paraxanthine
External Link(s)
| MeSH | C021183 |
| PubChem Compound | 4687 |
| BindingDB | 50042210 |
| ChEBI | 25858 |
| CHEMBL | CHEMBL1158 |
| KEGG | cpd:C13747 |
| ZINC | 120234 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Fetal Growth Retardation | 22701600 | CTD | |
| 2 | Inflammation | 19962977 | CTD | |
| 3 | Lung Injury | 19962977 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.