Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0L5CZ
|
|||
| Former ID |
DAP000349
|
|||
| Drug Name |
Rocuronium
|
|||
| Synonyms |
Esmeron (TN); Zemuron (TN); (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Muscle spasm [ICD-11: MB47.3] | Approved | [1] | |
| Therapeutic Class |
Neuromuscular Nondepolarizing Agents
|
|||
| Company |
Gland Pharma Ltd
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C32H53N2O4+
|
|||
| Canonical SMILES |
CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
|
|||
| InChI |
1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
|
|||
| InChIKey |
YXRDKMPIGHSVRX-OOJCLDBCSA-N
|
|||
| CAS Number |
CAS 143558-00-3
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
9759, 7980535, 10298784, 36885162, 46506855, 50112687, 57403615, 76758492, 87322634, 92309079, 92729760, 93166518, 104625114, 123090170, 134337660, 136177198, 137004290, 152258743, 160647588, 160964072, 162177643, 162201757, 163306169, 163414334, 175266560, 175443879, 176484263, 176484981, 178100829, 179149670, 184811987, 223383273, 224380718, 226416911, 241035612, 251916699, 251917938, 252356492
|
|||
| ChEBI ID |
CHEBI:8884
|
|||
| ADReCS Drug ID | BADD_D01959 ; BADD_D01960 | |||
| SuperDrug ATC ID |
M03AC09
|
|||
| SuperDrug CAS ID |
cas=119302919
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-2 (CHRNA2) | Target Info | Antagonist | [2], [3] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Panther Pathway | Nicotinic acetylcholine receptor signaling pathway | |||
| Reactome | Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |||
| Highly calcium permeable nicotinic acetylcholine receptors | ||||
| WikiPathways | Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
| REF 2 | Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. | |||
| REF 3 | Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.