AG007SYT

18559-94-9 | 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

AG007SYT

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CAS Number	18559-94-9
Catalog Number	AG007SYT(AGN-PC-04XZ1W)
Chemical Name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
EC Number	242-424-0
IUPAC Name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
InChI	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChI Key	NDAUXUAQIAJITI-UHFFFAOYSA-N
MDL Number	MFCD00148978
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
NSC Number	757417
SMILES	OCc1cc(ccc1O)C(CNC(C)(C)C)O
Synonyms	2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol, Albuterol, Albuterol Sulfate, Proventil, Salbutamol, Sultanol, Ventolin, Salbutamol, albuterol, 18559-94-9, Proventil, Sultanol, Volmax, Broncovaleas, dl-Salbutamol, dl-Albuterol, Ventolin Inhaler, Ventolin, Proventil HFA, Buventol, Cobutolin, Salbulin, Salbuvent, Saventol, Ventoline, Asmaven, Salamol, Spreor, Asmol, Aerolin, Sultanol N, Proventil Inhaler, Ventolin Rotacaps, Novosalmol, Salbuhexal, Salbutalan, Salbutamolum, Servitamol, Ventiloboi, Ventodisks, Almotex, Anebron, Asmadil, Asmanil, Asmasal, Asmatol, Asmidon, Bronter, Bugonol, Butamol, Butohaler, Butotal, Butovent, Dilatamol, Farcolin, Gerivent, Grafalin, Libretin, Medolin, Parasma, Pneumolat, Respolin, Sabutal, Salbetol, Salbron, Salbupur, Salbusian, Salbutan, Salbutol, Salbuven, Sallbupp, Salmaplon, Salomol, Salvent, Suprasma, Theosal, Tobybron, Vencronyl, Ventamol, Ventilan, Zaperin, Bumol, Mozal, Respax, Suxar, Asthalin, Alti-Salbutamol, Broncho-Spray, Salbu-Fatol, Buto-Asma, Asmol Uni-Dose, Salbu-BASF, Salbutamol Sulphate, Volare easi-breathe, Arubendol-Salbutamol, Airomir, Volare albuterol HFA, Ventalin inhaler, Solbutamol, Salbutamolum [INN-Latin], 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol, Salbutamol sulfate, AH 3365, (l)-albuterol, 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol, ALBUTEROL (+/-), ALBUTEROL SULFATE, AccuNeb, ProAir, 2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol, HSDB 7206, alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol, Proventil (TN), EINECS 242-424-0, MFCD00148978, 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol, alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol, BRN 2213614, 4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol, Combivent, DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine, alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol, CHEBI:2549, NDAUXUAQIAJITI-UHFFFAOYSA-N, Salbutamol-d9, NCGC00015955-09, Proair HFA, DSSTox_CID_1255, m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-, m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy-, 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, 1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol, R,S-Albuterol, DSSTox_RID_76042, DSSTox_GSID_21255, (+-)-Salbutamol, Albuterol [USAN], Q-201695, Q-201696, (+-)-Albuterol, Ecovent, Rotahaler, Sabutamol, Salbutard, Salbutine, Vospire, Cetsim, Eolene, Volma, 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol, 4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol, 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, Albuterol (USP), SCH-13949W, AH-3365, SR-01000075161, Albuterol [USAN:USP], Levosalbutamol Hydrochloride, racemic salbutamol, Salamol EB, Prestwick_665, CAS-18559-94-9, Salbutamol Free Base, alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol, Salbutamol,(+/-), Venetlin (Salt/Mix), Salbutamol (Albuterol), Spectrum_000200, Salbutamol [INN:BAN], AC1L1CVO, Prestwick0_000198, Prestwick1_000198, Prestwick2_000198, Prestwick3_000198, Spectrum2_001350, Spectrum4_000887, Spectrum5_001059, 2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol, CHEMBL714, EC 242-424-0, S 8260, AC1Q1MO0, SCHEMBL4913, Lopac0_001090, Lopac0_001098, BSPBio_000155, GTPL558, KBioGR_001294, KBioSS_000680, 35763-26-9, DivK1c_000943, SPECTRUM1500677, SPBio_001539, SPBio_002076, BPBio1_000171, SGCUT00011, DTXSID5021255, SCHEMBL10025126, BCBcMAP01_000116, BDBM25769, CTK8E5622, HMS502P05, KBio1_000943, KBio2_000680, KBio2_003248, KBio2_005816, BIS7017, NINDS_000943, ZX-AFC000812, Bio1_000446, Bio1_000935, Bio1_001424, HMS1568H17, HMS1921C04, HMS2089I19, HMS2092I08, HMS2095H17, HMS3712H17, KUC106739N, Pharmakon1600-01500677, BCP28423, HY-B1037, to_000081, Tox21_110266, Tox21_200800, CCG-39288, CS0015, NSC757417, PDSP1_000623, PDSP2_000620, SBB066105, (alpha1-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha-diol), AKOS007930174, Tox21_110266_1, AN-7048, API0006973, CS-4556, DB01001, KS-5209, LS-7693, MCULE-4493408325, NSC-757417, (+-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethanol, ACM35763269, IDI1_000943, SMP1_000268, NCGC00015955-04, NCGC00015955-05, NCGC00015955-06, NCGC00015955-07, NCGC00015955-08, NCGC00015955-10, NCGC00015955-11, NCGC00015955-12, NCGC00015955-13, NCGC00015955-14, NCGC00015955-16, NCGC00024698-02, NCGC00024698-03, NCGC00024698-04, NCGC00024698-05, NCGC00024698-06, NCGC00024698-07, NCGC00258354-01, AC-10286, AN-18804, CC-23825, KSC-11-222-1, LS-29861, Salbutamol 100 microg/mL in Acetonitrile, SC-22638, SC-93513, ST024764, ST075204, ST077150, SBI-0051060.P005, AB0011383, AB1006817, AX8136202, TR-008568, AB00052154, EU-0101090, FT-0630453, ST24042831, VU0243312-5, D02147, J10176, K-5595, Salbutamol, VETRANAL(TM), analytical standard, AB00052154-08, AB00052154-09, AB00052154_10, AB00052154_11, 559S949, A812971, C-14301, L000531, I06-0331, SR-01000075161-3, SR-01000075161-4, SR-01000075161-5, SR-01000075161-8, BRD-A88254928-001-04-6, BRD-A88254928-001-05-3, Salbutamol impurity I (1RS)-2-[(1,1-dimethylethyl), SR-01000075161-11, Salbutamol, British Pharmacopoeia (BP) Reference Standard, Salbutamol, European Pharmacopoeia (EP) Reference Standard, Albuterol, United States Pharmacopeia (USP) Reference Standard, 2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol, 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol #, 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol, alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha -diol, 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol, 4-[(1S)-2-(butylamino)-1-hydroxy-isopropyl]-2-(hydroxymethyl)phenol, 4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol, .alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol, .alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate, .alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol, 1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, (+-)-, 4-[(1S)-1-hydroxy-2-(propylamino)ethyl]-2-(hydroxymethyl)phenol, oxamethane, m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy-, m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy-, Levalbuterol, Asthavent, Xopenex, sabumol, Levosalbutamol, Venetlin, Loftan, Albuterol Sulphate, VoSpire ER, R-Salbutamol, Proventil-HFA, (s)-salbutamol, Ventolin HFA, racemic-Salbutamol, Xopenex HFA, Albuterol hemisulfate, Asthalin (TN), Ventolin (TN), (+)-Albuterol, Aerolin (TN), DUONEB, ProAi (TN), UNII-QF8SVZ843E, (S)-ALBUTEROL, Levalbuterol hydrochloride, D0K5CB, S-(+)-ALBUTEROL, Salbutamol, 99% 250mg, QF8SVZ843E, C13H21NO3, CID2083, C13-H21-N-O3, CS-O-10477, D000420, 1,3-Benzenedimethanol, ?1-[[(1,1-dimethylethyl) amino]methyl]-4-hydroxy-, 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha 1 alpha 3-diol, 2-(tert-Butylamino)-1-[(4-hydroxy-3-hydroxymethyl)phenyl]ethanol, Alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha-diol, alpha 1-tert-Butylaminomethyl-4-hydroxy-m-xylene-alpha 1 alpha 3-diol, alpha-1-[(tert-butylamino)methyl]-4-hydroxy-m-xylene-alpha-,alpha-'-diol, alpha-1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, alpha1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, DL-N-tert-Butyl-2(4-hydroxy-3-hydroxymethylphenyl)2-hydroxyethylamine, m-Xylene alpha alpha'-diol alpha-[(tert-butylamino)methyl]-4-hydroxy-, 1,3-Bencenoodimetanol, alfa 1-[[(1,1-dimetiletil) amino] metil]-4-hidroxi-, 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (.+.)-, 1,3-Benzenedimethanol, alpha(1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, 4-Hydroxy-3-(hydroxymethyl)-alpha-[[(1 1-dimethylethyl)amino]methyl]benzenemethanol, m-Xylene-.alpha.,.alpha.'-diol, .alpha.1-[(tert-butylamino)methyl]-4-hydroxy-, m-Xylene-alpha alpha'-diol alpha 1-[(tert-butylamino)methyl]-4-hydroxy-(8CI), |A-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-|A,|A inverted exclamation marka-diol; Albuterol; Salbutamol, 1173021-73-2, 34271-50-6, 34391-04-3, 56796-66-8,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	239.315g/mol
Monoisotopic Mass	239.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312a-P330-P501a-P301+P312+P330
UN Code	\N

Certificate of Analysis

Lot Number