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5809-23-4 | 2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid
CAS No: 5809-23-4 Catalog No: AG00328M MDL No:MFCD00134669
Product Description
Catalog Number:
AG00328M
Chemical Name:
2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid
CAS Number:
5809-23-4
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
MDL Number:
MFCD00134669
IUPAC Name:
2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid
InChI:
InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
InChI Key:
FQNKTJPBXAZUGC-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CC
EC Number:
227-370-8
UNII:
X4K32L28QB
NSC Number:
625797
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Identification of an ABCB/P-glycoprotein-specific inhibitor of auxin transport by chemical genomics. | The Journal of biological chemistry 20100723 |
| Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated. | Nature chemical biology 20071101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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