mesaconitine
(XUHJBXVYNBQQBD-TUWOXVOMSA-N)
Structure
- SMILES
- COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC
- Molecular Formula:
- C33H45NO11
- Molecular Weight:
- 631.711
- Log P:
- 0.1959
- Hydrogen Bond Acceptor:
- 12
- Hydrogen Bond Donor:
- 3
- TPSA:
- 153.45
- CAS Number(s):
- 2752-64-9
Synonym(s)
1.
mesaconitine
2.
N-desethyl-N-methylaconitine
3.
mesaconitine hydrobromide, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer of mesaconitine
External Link(s)
| MeSH | C019470 |
| PubChem Compound | 441747 |
| ChEBI | 6773 |
| CHEMBL | CHEMBL3400310 |
| KEGG | cpd:C08698 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Bradycardia | 30639578 | CTD | |
| 2 | Cardiovascular Abnormalities | 30639578 | CTD | |
| 3 | Hemorrhage | 30639578 | CTD | |
| 4 | Pericardial effusion | 30639578 | CTD | |
| 5 | Ventricular Dysfunction | 30639578 | 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.