BIAdb Combunox 1932
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Combunox 1932
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C31H40ClNO6 |
| Mol. mass | 558.1054 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
558.1054
*Exact Mass
557.254416
*Molecular Formula
C31H40ClNO6
*IUPAC NAME
N/A
*Canonical Smiles
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.Cl
*Isomeric Smiles
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
7
*Rotational Bond Count
5
*Topological Polar Surface Area
96.3
