TYZ

PARA ACETAMIDO BENZOIC ACID

Created:	2004-08-07
Last modified:	2024-09-27

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3 entries where TYZ is found as a standalone ligand3 entries where TYZ is covalently linked to polymer or other heterogen groups 3 entries where TYZ is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of TYZ

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Chemical Component Summary
Name	PARA ACETAMIDO BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-acetamidobenzoic acid
Formula	C₉ H₉ N O₃
Molecular Weight	179.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccc(cc1)C(=O)O)C
SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)Nc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)Nc1ccc(cc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey	InChI	1.03	QCXJEYYXVJIFCE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04500
Name	Acedoben
Groups	experimental
Synonyms	Acedoben sodium 4-Acetylaminobenzoic acid Para acetamido benzoic acid p-Acetoaminobenzoic acid 4-acetamidobenzoic acid PAAB Acedoben 4-(Acetylamino)benzoic acid p-Acetylaminobenzoic acid N-Acetyl-p-aminobenzoic acid N-Acetyl-PABA Acedobenum Acedobene 4-Carboxyacetanilide p-Acetamidobenzoic acid
Categories	Acids, Carbocyclic Aminobenzoates Benzene Derivatives Benzoates
CAS number	556-08-1

Related Resource References

Resource Name	Reference
PubChem	19266
ChEMBL	CHEMBL112687
ChEBI	CHEBI:46171
CCDC/CSD	DIXFAR04, ROLVOF, DIXFAR03, DIXFAR, OTUVOQ, EPUSOZ, DIXFAR02
COD	2240069, 4500429, 1516519, 1520231, 1520240

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.