BIAdb Acetaminophen 1073

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Revision as of 10:46, 20 November 2009

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BIAdb Acetaminophen 1073
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847933
Chemical data
Formula	C45H59N8O14P
Mol. mass	966.968921
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Analgesic

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

External Links

• Pubchem

Link to BIAdb Database