AG00IAWE

61618-27-7 | Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt,monohydrate

AG00IAWE

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CAS Number	61618-27-7
Catalog Number	AG00IAWE(AGN-PC-0T12QZ)
Chemical Name	Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt,monohydrate
IUPAC Name	sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate
InChI	InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
InChI Key	QZNJPJDUBTYMRS-UHFFFAOYSA-M
MDL Number	MFCD09842317
Molecular Formula	C15H14NNaO4
Molecular Weight	295.2657
SMILES	O=C([O-])CC1=CC=CC(C(C2=CC=CC=C2)=O)=C1N.[H]O[H].[Na+]
UNII	PPF9V8J28Y
Synonyms	2-amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate, AHR 5850, amfenac, amfenac calcium salt (2:1), amfenac monosodium salt, amfenac sodium, 61618-27-7, Sodium 2-(2-amino-3-benzoylphenyl)acetate hydrate, Amfenac sodium monohydrate, Amfenac sodium hydrate, UNII-PPF9V8J28Y, PPF9V8J28Y, AHR-5850D, Sodium (2-amino-3-benzoylphenyl)acetate monohydrate, AK-75784, 2-Amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate, sodium 2-amino-3-benzoylphenylacetate hydrate, NSC 309467, Amfenac sodium salt monohydrate, Fenazox (TN), Amfenac sodium (USAN), amfenac-sodium-monohydrate, SCHEMBL2254, C15H14NNaO4, Amfenac Sodium (monohydrate), Amfenac sodium hydrate (JAN), CHEBI:31202, CTK8B5852, KS-00000PBR, QZNJPJDUBTYMRS-UHFFFAOYSA-M, HMS3652E22, BCP21613, AN-602, ANW-50571, HY-17479A, MFCD00941383, s4149, AKOS015896326, API0001441, MP-0078, AB0010752, AX8220182, ST2413797, TR-037291, 4CH-011035, CS-0012428, FT-0657888, SW219513-1, A16399, D01788, AB01568266_01, sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate, I06-2063, sodium 2-(2-amino-3-benzoyl-phenyl)acetate hydrate, 2-Amino-3-benzoylbenzeneacetic Acid Sodium Salt Hydrate, sodium (2-amino-3-benzoylphenyl)acetate--water (1/1), Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt,monohydrate, Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, monohydrate, Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, hydrate (1:1:1), amfenac sodium, Fenazox, Fenamate, Amfenac, Amfenac Sodium Salt, Amfenac sodium [USAN:JAN], Amfenac-d5 Sodium Hydrate, Amfenac sodium monohydrate, UNII-C20288EWAG, C15H12NNaO3.H2O, CID147508, (2-Amino-3-benzoylphenyl)acetic acid, C15-H12-N-Na-O3.H2-O, CS-O-10235, 2872H, B1656, Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt, monohydrate,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.082g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.27g/mol
Monoisotopic Mass	295.082g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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