BIAdb Tretoquinol 3439
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3439 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3439 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Tretoquinol 3439
| |
| Systematic (IUPAC) name | |
| (1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H24ClNO5 |
| Mol. mass | 381.85056 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Bronchodilator
[edit] General Properties
*Molecular Weight
381.85056
*Exact Mass
381.134301
*Molecular Formula
C19H24ClNO5
*IUPAC NAME
(1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
*Canonical Smiles
COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O.Cl
*Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O.Cl
*XLogP
N/A
*Hydrogen bond donor
4
*Hydrogen bond acceptor
6
*Rotational Bond Count
5
*Topological Polar Surface Area
80.2
