BIAdb Tetrandrine and Ethoxyd 3378
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3378 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3378 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Tetrandrine and Ethoxyd 3378
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C55H62N4O8S |
| Mol. mass | 939.16778 |
| 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
939.16778
*Exact Mass
938.428836
*Molecular Formula
C55H62N4O8S
*IUPAC NAME
N/A
*Canonical Smiles
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC.CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
*Isomeric Smiles
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC.CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
10
*Rotational Bond Count
10
*Topological Polar Surface Area
104
