BIAdb Hydrastine hydrochloride 2287
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Hydrastine hydrochloride 2287
| |
| Systematic (IUPAC) name | |
| (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H22ClNO6 |
| Mol. mass | 419.85548 |
| 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
419.85548
*Exact Mass
419.113565
*Molecular Formula
C21H22ClNO6
*IUPAC NAME
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
*Isomeric Smiles
CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
7
*Rotational Bond Count
3
*Topological Polar Surface Area
66.5
