BIAdb 6'-bromodihydropapaverine 1057
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1057 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1057 Link to BIAdb Database] | ||
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Current revision
| BIAdb 6'-bromodihydropapaverine 1057
| |
| Systematic (IUPAC) name | |
| 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H22BrNO4 |
| Mol. mass | 420.29698 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
420.29698
*Exact Mass
419.073221
*Molecular Formula
C20H22BrNO4
*IUPAC NAME
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
*Canonical Smiles
COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
3.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
6
*Topological Polar Surface Area
49.3
