BIAdb Acetaminophen 1073
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1073 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1073 Link to BIAdb Database] | ||
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| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Acetaminophen 1073
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C45H59N8O14P |
| Mol. mass | 966.968921 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Analgesic
[edit] General Properties
*Molecular Weight
966.968921
*Exact Mass
966.388835
*Molecular Formula
C45H59N8O14P
*IUPAC NAME
N/A
*Canonical Smiles
CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O
*Isomeric Smiles
CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O
*XLogP
N/A
*Hydrogen bond donor
8
*Hydrogen bond acceptor
16
*Rotational Bond Count
6
*Topological Polar Surface Area
303
