AG001WRZ

1665-48-1 | 5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one

AG001WRZ

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CAS Number	1665-48-1
Catalog Number	AG001WRZ(AGN-PC-0510QB)
Chemical Name	5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one
EC Number	216-777-6
IUPAC Name	5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
InChI	InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChI Key	IMWZZHHPURKASS-UHFFFAOYSA-N
MDL Number	MFCD00867700
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O=C2OC(COc1cc(cc(c1)C)C)CN2
Synonyms	AHR 438, metaxalone, Skelaxin, METAXALONE, 1665-48-1, Skelaxin, Methaxalonum, Metaxalon, Zorane, Methoxolone, 5-((3,5-Dimethylphenoxy)methyl)oxazolidin-2-one, Metazalone, Metazolone, Metaxolone, AHR-438, Metaxalonum [Latin], Metassalone [DCIT], Metaxalonum [INN-Latin], Metassalone, Metaxalona [INN-Spanish], Metaxalonum, Metaxalona, AHR 438, 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-, 5-(3,5-Xyloloxymethyl)oxazolidin-2-one, Metaxalona [Spanish], CL 39,148, 2-Oxazolidinone, 5-((3,5-xylyloxy)methyl)-, NSC 170959, 5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one, Metaxalone [USAN:INN:BAN], 5-((3,5-Dimethylphenoxy)methyl)-2-oxazolidinone, HSDB 3236, 5-((3,5-Xylyloxy)methyl)-2-oxazolidinone, 5-[(3,5-Xylyloxy)methyl]-2-oxazolidinone, EINECS 216-777-6, 5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one, BRN 0884592, MLS003106749, CHEBI:6797, IMWZZHHPURKASS-UHFFFAOYSA-N, 5-[(3,5-Dimethylphenoxy)methyl]-2-oxazolidinone, 2-Oxazolidinone, 5-((3,5-dimethylphenoxy)methyl)-, MFCD00867700, NSC170959, NCGC00095116-01, DSSTox_CID_3269, 2-Oxazolidinone, 5-[(3,5-xylyloxy)methyl]-, 5-(3,5-dimethylphenoxymethyl)-2-oxazolidinone, DSSTox_RID_76949, DSSTox_GSID_23269, 5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one, CAS-1665-48-1, SR-05000001978, 5-((3,5-Dimethylphenoxy)methyl)-1,3-oxazolidin-2-one, .meta.Xalone, .meta.Zalone, .meta.Zolone, .meta.Xalon, Skelaxin (TN), Spectrum_001741, SpecPlus_000656, AC1Q6MIL, Metaxalone (USAN/INN), Spectrum2_000548, Spectrum3_001666, Spectrum4_000612, Spectrum5_001685, AC1L25XO, Oprea1_438855, SCHEMBL34908, BSPBio_003451, KBioGR_001164, KBioSS_002221, DivK1c_006752, SPECTRUM1504229, SPBio_000595, GTPL7609, CHEMBL1079604, DTXSID3023269, Metaxalone, >=98% (HPLC), CTK8F0377, KBio1_001696, KBio2_002221, KBio2_004789, KBio2_007357, KBio3_002671, HMS1922H07, HMS2093C22, Pharmakon1600-01504229, BCP28377, HY-B0678, KS-00000ZH8, Tox21_111428, WLN: T5MVOTJ D1OR C1 E1, 2-Oxazolidinone,5-xylyloxy)methyl]-, CCG-39592, NSC758703, STL450994, STL451511, AKOS009035315, Tox21_111428_1, CS-2910, DB00660, FS-3218, MCULE-3101469866, NSC-170959, NSC-758703, TRA0047745, 5-(3,5-xylyloxymethyl)-2-oxazolidone, NCGC00095116-02, NCGC00095116-03, NCGC00095116-05, AK-61006, BC220747, BR-61006, SMR001821638, SBI-0052859.P002, 2-Oxazolidinone,5-dimethylphenoxy)methyl]-, AB0063964, LS-100704, TR-035874, 4CH-009638, AM20060525, FT-0603568, M2578, ST24029254, 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone, C07934, D00773, S-2010, 5-((3,5-dimethylphenoxy)methyl)-2-oxazolidinon, AB00053284_04, 665M481, A810747, I06-0370, J-010295, SR-05000001978-1, SR-05000001978-3, BRD-A94709349-001-02-6, BRD-A94709349-001-03-4, 5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one #, 5-{[(3,5-dimethylphenyl)oxy]methyl}-1,3-oxazolidin-2-one, 5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-ol, Metaxalone, United States Pharmacopeia (USP) Reference Standard, Metaxalone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Metaxalone-d6, UNII-1NMA9J598Y, D0S5CH, Metaxalone [USAN:BAN:INN], 1NMA9J598Y, C12H15NO3, CID15459, AN-251, C12-H15-N-O3, CS-O-11689, C011301,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number