BIAdb Pentazocine 2927
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2927 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2927 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Pentazocine 2927
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H33NO4 |
| Mol. mass | 375.50172 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Sigma agonist
[edit] General Properties
*Molecular Weight
375.50172
*Exact Mass
375.240959
*Molecular Formula
C22H33NO4
*IUPAC NAME
N/A
*Canonical Smiles
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.CC(C(=O)O)O
*Isomeric Smiles
CC1[C@@H]2CC3=C([C@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.CC(C(=O)O)O
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
81
