AG000QO3

126-27-2 | 2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

AG000QO3

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CAS Number	126-27-2
Catalog Number	AG000QO3(AGN-PC-0PI8I8)
Chemical Name	2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
EC Number	204-780-5
IUPAC Name	2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
InChI	InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
InChI Key	FTLDJPRFCGDUFH-UHFFFAOYSA-N
MDL Number	MFCD00079202
Molecular Formula	C28H41N3O3
Molecular Weight	467.6434
NSC Number	758444
SMILES	O=C(N(C)C(C)(C)CC=1C=CC=CC1)CN(CC(=O)N(C)C(C)(C)CC=2C=CC=CC2)CCO
UNII	IP8QT76V17
Synonyms	2,2'-((2-hydroxyethyl)imino)bis(N-alpha,alpha-dimethylphenethyl)-N-methylacetamide, Mucaine, Muthesa, Oxaine, oxetacain, oxethazaine, oxethazaine hydrochloride, oxethazaine monohydrochloride, oxethazine, Robercain R, Tepilta, Oxethazaine, Oxetacaine, 126-27-2, Mucaine, Oxaethacainum, Oxethacaine, Oxaine, Betalgil, Muthesa, Stomacain, Topicain, Oxethacaina [Italian], Tepilta, Oxetacainum [INN-Latin], Oxetacaina [INN-Spanish], UNII-IP8QT76V17, CCRIS 4692, EINECS 204-780-5, FH 099, WY 806, BRN 2404063, CHEMBL127592, IP8QT76V17, CHEBI:31947, Wy-806, Oxetacaine (INN), Oxetacaine [INN], 2,2'-((2-Hydroxyethyl)imino)bis(N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide), NCGC00016382-01, CAS-126-27-2, 2-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanol, DSSTox_CID_5818, N,N-Bis(N-methyl-N-phenyl-tert-butylacetamido)-beta-hydroxyethylamine, 2,2'-((2-Hydroxyethyl)imino)bis(N-(alpha,alpha-dimethylphenethyl)-N-methylacetamide), Acetamide, 2,2'-((2-hydroxyethyl)imino)bis(N-(1,1-dimethyl-2-phenylethyl)-N-methyl-, Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl-, DSSTox_RID_77936, DSSTox_GSID_25818, 2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide, Milzine, Acetamide, 2,2'-((2-hydroxyethyl)imino)bis(N-(alpha,alpha-dimethylphenethyl)-N-methyl-, N-(1,1-dimethyl-2-phenyl-ethyl)-2-[[2-[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amino]-2-oxo-ethyl]-(2-hydroxyethyl)amino]-N-methyl-acetamide, SR-05000001851, Oxethazaine [USAN:JAN], Prestwick_767, degrees centEuEuOo, Spectrum_001657, AC1L1IKS, Prestwick0_000058, Prestwick1_000058, Prestwick2_000058, Prestwick3_000058, Spectrum2_001987, Spectrum3_001751, Spectrum4_000202, Spectrum5_001269, cid_4621, Oxethazaine (JP17/USAN), SCHEMBL24489, BSPBio_000215, BSPBio_003482, KBioGR_000803, KBioSS_002137, 4-12-00-02822 (Beilstein Handbook Reference), MLS002154188, DivK1c_000715, SPECTRUM1503279, SPBio_002136, SPBio_002173, BPBio1_000237, Oxethazaine, analytical standard, DTXSID0025818, HMS502D17, KBio1_000715, KBio2_002137, KBio2_004705, KBio2_007273, KBio3_002702, KS-00000GVG, FTLDJPRFCGDUFH-UHFFFAOYSA-N, NINDS_000715, HMS1568K17, HMS1922A04, HMS2093C15, HMS2095K17, HMS2236A03, HMS3370M13, HMS3712K17, Pharmakon1600-01503279, BCP07626, HY-B0955, ZINC3874585, Tox21_110407, 2622AH, BDBM50017672, CCG-39525, LS-703, NSC758444, AKOS024284189, Tox21_110407_1, API0003711, CS-4432, DB12532, MCULE-5155939580, NSC-758444, IDI1_000715, NCGC00016382-02, NCGC00016382-03, NCGC00016382-04, NCGC00016382-07, NCGC00095039-01, NCGC00095039-02, NCGC00095039-03, AN-43561, CC-33412, SMR001233479, ST073363, SBI-0051816.P002, AB00052348, FT-0603332, SW196906-3, C12552, D01152, AB00052348_08, AB00052348_09, 126O272, C-22674, J-005353, SR-05000001851-1, SR-05000001851-3, BRD-K56940463-001-05-4, BRD-K56940463-001-08-8, 2-Hydroxyethyliminobis[N-(alpha,alpha-dimethylphenethyl)-N-methyl-acetamide], 2,2'-((2-hydroxyethyl)imino)bis(N-alpha,alpha-dimethylphenethyl)-N-methylacetamide, 2,2'-(2-hydroxyethylazanediyl)bis(N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide), 2-Hydroxyethyliminobis[N-(alpha,alpha-dimethylphenethyl)-N-methyl- acetamide], 2-oCOO>>uNC degrees +/->>uE<<(N-[|A,|A- paragraph signthorn(1/4)x>>u+/-(1/2)OO>>u]-N-(1/4)x>>uOOo pound degrees .), N-(1,1-Dimethyl-2-phenyl-ethyl)-2-[{[(1,1-dimethyl-2-phenyl-ethyl)-methyl-carbamoyl]-methyl}-(2-hydroxy-ethyl)-amino]-N-methyl-acetamide, N-(1,1-dimethyl-2-phenylethyl)-2-({[N-(1,1-dimethyl-2-phenylethyl)-N-methylcar bamoyl]methyl}(2-hydroxyethyl)amino)-N-methylacetamide, Mucoxin, Emoren, oxethazine, Oxetacaina, Oxetacainum, Oxethacaina, oxetacain, storocaine, Storocain, Strocain, Mixture Name, Robercain R, Strocain (TN), Oxethazaine [USAN:BAN:JAN], C28H41N3O3, therap cat: local anesthetic, CID4621, C28-H41-N3-O3, CS-O-30708, A8494, N,N-bis[N-methyl-N-phenyl-tert-butylacetamido]-beta-hydroxyethylam-ine, Acetamida, 2,2'-[(2-hidroxietil)imino]bis[N-(1,1-dimetil-2-feniletil)-N-metil-, Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl]-,

Complexity	585
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	467.315g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	467.654g/mol
Monoisotopic Mass	467.315g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	64.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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