BIAdb Acetaminophen 1075

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Revision as of 10:46, 20 November 2009

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BIAdb Acetaminophen 1075
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847938
Chemical data
Formula	C70H79ClN4O18
Mol. mass	1299.84526
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

Unknown

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

External Links

• Pubchem

Link to BIAdb Database