diquafosol
(NMLMACJWHPHKGR-NCOIDOBVSA-N)
Structure
- SMILES
- O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
- Molecular Formula:
- C18H26N4O23P4
- Molecular Weight:
- 790.307
- Log P:
- -4.1902
- Hydrogen Bond Acceptor:
- 25
- Hydrogen Bond Donor:
- 10
- TPSA:
- 443.69
- CAS Number(s):
- 59985-21-6
Synonym(s)
1.
diquafosol
2.
INS 365
3.
INS-365
4.
INS365
External Link(s)
| MeSH | C403315 |
| PubChem Compound | 148197 |
| BindingDB | 50205413 |
| ChEBI | 27791 |
| CHEMBL | CHEMBL221326 |
| DrugCentral | 4900 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 1736 |
| KEGG | cpd:C06198 |
| Therapeutic Target Database | D0S6AE |
| ZINC | 8551963 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Lung diseases | 21528910 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120291
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.