AG008MSD

80382-23-6 | Sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate

AG008MSD

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CAS Number	80382-23-6
Catalog Number	AG008MSD(AGN-PC-0UH03N)
Chemical Name	Sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate
IUPAC Name	sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate
InChI	InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1
InChI Key	WORCCYVLMMTGFR-UHFFFAOYSA-M
MDL Number	MFCD00941425
Molecular Formula	C15H17NaO3
Molecular Weight	268.2835
SMILES	CC(C1=CC=C(CC2C(CCC2)=O)C=C1)C([O-])=O.[Na+]
Synonyms	156-S, 2-(4-((2-oxocyclopentyl)methyl)phenyl)propionic acid, 2-OCPPP, CS 600, CS-600, loxoprofen, loxoprofen alcohol, loxoprofen sodium dihydrate, loxoprofen sodium, (R*,S*)-isomer, sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrate, sodium loxoprofen, Loxoprofen sodium, 80382-23-6, Loxoprofen sodium salt, Loxonin, Sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate, LX-A, Loxoprofen sodium hydrate, CHEBI:76198, CS-600, AK189220, Q-201325, Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, CHEMBL66552, Sodium 2-[4-(2-Oxocyclopentyl-1-methyl)phenyl]propionate dihydrate, Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate dihydrate, CS 600, sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate, Benzeneacetic acid, alpha-methyl-4-((2-oxocyclopentyl)methyl)-, sodium salt, dihydrate, LP-X, MLS001401445, SCHEMBL383675, sodium (R)-2-(4-(((S)-2-oxocyclopentyl)methyl)phenyl)propanoate, CTK8G0646, KS-00000JPC, CS-600G, WORCCYVLMMTGFR-UHFFFAOYSA-M, HMS2051D12, HMS2233J14, HMS3370C11, HMS3393D12, EBD30664, MFCD00941425, AKOS015994737, AKOS025392177, API0003221, CCG-101024, KS-5040, NC00274, AT-12208, CPD000469165, SAM001246594, SC-22396, SMR000469165, AB2000713, FT-0630879, L0252, M-1636, 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoate sodium salt, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt, Sodium 2-(4-(2-oxocyclopentyl-methyl) phenyl) propionate dihydrate; alpha-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid sodium salt dihydrate, Loxoprofen, Loxoprofensodium, Oxeno, Lobu, Loxoprofen Na, sodium loxoprofen, Loxoprofen sodium dihydrate, UNII-NDC2M7399S, Loxoprofen sodium [Mart.], UNII-Z2DR42L11Y, Loxoprofen sodium hydrate [jp], NDC2M7399S, C15H17O3.Na.2H2O, C15-H17-O3.Na.2H2-O, ACN-040062, CID6917990, CS-O-01786, alpha-Methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate sodium salt dihydrate, |A-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic Acid Sodium Salt, 226721-96-6, Monosodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate dihydrate, Benzeneacetic acid, alpha-methyl-4-((2-oxocyclopentyl)methyl)-, sodium salt, hydrate (1:1:2),

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.108g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.288g/mol
Monoisotopic Mass	268.108g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number