BIAdb Mivacurium 2693
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2693 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2693 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Mivacurium 2693
| |
| Systematic (IUPAC) name | |
| bis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C58H80N2O14+2 |
| Mol. mass | 1029.2608 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
1029.2608
*Exact Mass
1028.560955
*Molecular Formula
C58H80N2O14+2
*IUPAC NAME
bis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate
*Canonical Smiles
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
*Isomeric Smiles
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
*XLogP
8.7
*Hydrogen bond donor
0
*Hydrogen bond acceptor
14
*Rotational Bond Count
30
*Topological Polar Surface Area
145
