BIAdb Heroin 2271
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2271 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2271 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Heroin 2271
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H24ClNO5 |
| Mol. mass | 405.87196 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Analgesic
[edit] General Properties
*Molecular Weight
405.87196
*Exact Mass
405.134301
*Molecular Formula
C21H24ClNO5
*IUPAC NAME
N/A
*Canonical Smiles
CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CC[NH+]3C.[Cl-]
*Isomeric Smiles
CC(=O)O[C@H]1C=C[C@H]2C3CC4=C5[C@]2(C1OC5=C(C=C4)OC(=O)C)CC[NH+]3C.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
4
*Topological Polar Surface Area
66.3
