NSC635458
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1549 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1549 Link to BIAdb Database] | ||
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Revision as of 11:34, 10 December 2009
| NSC635458
| |
| Systematic (IUPAC) name | |
| 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H24BrNO4 |
| Mol. mass | 422.31286 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
General Properties
*Molecular Weight
422.31286
*Molecular Formula
C20H24BrNO4
*IUPAC NAME
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
*Canonical Smiles
COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
3.3
*Topological Polar Surface Area
49
