BIAdb Hydrocotarnine 2294
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2294 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2294 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Hydrocotarnine 2294
| |
| Systematic (IUPAC) name | |
| 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolinehydrate hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C12H18ClNO4 |
| Mol. mass | 275.72862 |
| 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
275.72862
*Exact Mass
275.092436
*Molecular Formula
C12H18ClNO4
*IUPAC NAME
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolinehydrate hydrochloride
*Canonical Smiles
CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.O.Cl
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
1
*Topological Polar Surface Area
31.9
