BIAdb Nalbuphine 2735
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2735 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2735 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Nalbuphine 2735
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H28ClNO4 |
| Mol. mass | 393.90432 |
| 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
393.90432
*Exact Mass
393.170686
*Molecular Formula
C21H28ClNO4
*IUPAC NAME
N/A
*Canonical Smiles
C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
*Isomeric Smiles
C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
*XLogP
N/A
*Hydrogen bond donor
4
*Hydrogen bond acceptor
5
*Rotational Bond Count
2
*Topological Polar Surface Area
73.2
