BIAdb Dihydroheroin 2026
From DrugPedia: A Wikipedia for Drug discovery
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Revision as of 11:13, 20 November 2009
BIAdb Dihydroheroin 2026
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Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C21H25NO5 |
Mol. mass | 371.4269 |
SMILES | & |
Pharmacokinetic data | |
Bioavailability | ? |
Metabolism | ? |
Half life | ? |
Excretion | ? |
Therapeutic considerations | |
Pregnancy cat. |
? |
Legal status | |
Routes | ? |
Contents |
Description
Source
N/A
Function
Unknown
General Properties
*Molecular Weight
371.4269
*Exact Mass
371.173273
*Molecular Formula
C21H25NO5
*IUPAC NAME
N/A
*Canonical Smiles
CC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C
*Isomeric Smiles
CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C
*XLogP
2.5
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
4
*Topological Polar Surface Area
65.1