BIAdb Norbuprenorphine 2797
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Norbuprenorphine 2797
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C25H35NO4 |
| Mol. mass | 413.5497 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Metabolite of buprenorphine
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
413.5497
*Exact Mass
413.256609
*Molecular Formula
C25H35NO4
*IUPAC NAME
N/A
*Canonical Smiles
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)O)O4)OC)O
*Isomeric Smiles
C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O
*XLogP
3.8
*Hydrogen bond donor
3
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
71
