BIAdb Buprenorphine 1644
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1644 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1644 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Buprenorphine 1644
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C29H42ClNO4 |
| Mol. mass | 504.10108 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Derivative of thebaine
[edit] Function
Kappa agonist(Partial)
[edit] General Properties
*Molecular Weight
504.10108
*Exact Mass
503.280237
*Molecular Formula
C29H42ClNO4
*IUPAC NAME
N/A
*Canonical Smiles
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl
*Isomeric Smiles
C[C@]([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
5
*Rotational Bond Count
5
*Topological Polar Surface Area
62.2
