BIAdb Alcuronium 1109
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Alcuronium 1109
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C44H50N4O2+2 |
| Mol. mass | 666.8934 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Anesthesia adjuvant
[edit] General Properties
*Molecular Weight
666.8934
*Exact Mass
666.393377
*Molecular Formula
C44H50N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16
*Isomeric Smiles
C=CC[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6C4/C(=CN7C8/C(=C6)/[C@@H]9C(=CCO)C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)CC=C)/[C@@H](C3)C(=CCO)C1)CC2
*XLogP
3.1
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
6
*Topological Polar Surface Area
46.9
