BIAdb Acetaminophen 1075
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m |
(→External Links) |
||
| (One intermediate revision not shown.) | |||
| Line 82: | Line 82: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1075 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1075 Link to BIAdb Database] | ||
| + | |||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Acetaminophen 1075
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C70H79ClN4O18 |
| Mol. mass | 1299.84526 |
| 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
1299.84526
*Exact Mass
1298.507789
*Molecular Formula
C70H79ClN4O18
*IUPAC NAME
N/A
*Canonical Smiles
CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
*Isomeric Smiles
CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
*XLogP
N/A
*Hydrogen bond donor
8
*Hydrogen bond acceptor
21
*Rotational Bond Count
6
*Topological Polar Surface Area
301
