BIAdb Stephanine 3261
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3261 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3261 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Stephanine 3261
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H19NO3 |
| Mol. mass | 309.35906 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Adrenergic alpha-blocker
[edit] General Properties
*Molecular Weight
309.35906
*Exact Mass
309.136493
*Molecular Formula
C19H19NO3
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3
*Isomeric Smiles
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC=C5OC)OCO3
*XLogP
3.3
*Hydrogen bond donor
0
*Hydrogen bond acceptor
4
*Rotational Bond Count
1
*Topological Polar Surface Area
30.9
