AG007FXT

34381-68-5 | DL-1-(2-Acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride

AG007FXT

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CAS Number	34381-68-5
Catalog Number	AG007FXT(AGN-PC-0R9RQX)
Chemical Name	DL-1-(2-Acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride
EC Number	251-980-3
IUPAC Name	N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride
InChI	InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
InChI Key	KTUFKADDDORSSI-UHFFFAOYSA-N
MDL Number	MFCD00078860
Molecular Formula	C18H29ClN2O4
Molecular Weight	372.8869
NSC Number	757412
SMILES	CCCC(NC1=CC=C(OCC(O)CNC(C)C)C(C(C)=O)=C1)=O.[H]Cl
Synonyms	Acebutolol, Acebutolol Hydrochloride, Acetobutolol, Apo Acebutolol, Apo-Acebutolol, ApoAcebutolol, M and B 17803 A, M and B 17803A, M and B-17803 A, M and B17803 A, Monitan, Neptal, Novo Acebutolol, Novo-Acebutolol, NovoAcebutolol, Prent, Rhotral, Sectral, Acebutolol hydrochloride, 34381-68-5, Acebutolol HCL, N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide hydrochloride, Acebutolol (hydrochloride), Diasectral, Wesfalin, MLS000069553, CHEBI:2380, 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide hydrochloride, IL-17803A, dl-1-(2-Acetyl-4-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride, CCRIS 1102, HSDB 6524, AK116443, SMR000058800, EINECS 251-980-3, IL 17803A, (+-)-3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide monohydrochloride, DSSTox_CID_25461, DSSTox_RID_80892, N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride, DSSTox_GSID_45461, M&B 17,803A, C18H29ClN2O4, N-[3-Acetyl-4-(2 hydroxy-3-[isopropylamino]propoxy)phenyl]-butanamide, Acebutolol.HCL, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide hydrochloride, acebutolol-hcl, SR-01000000133, N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride, Prestwick_512, Acebutolol hydrochloride [USP:JAN], Sectral (TN), AC1L9AXY, (1)-N-(3-Acetyl-4-(2-hydroxy-3-((isopropyl)amino)propoxy)phenyl)butyramide monohydrochloride, Butanamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-, Butyranilide, 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, monohydrochloride, (+-)-, Opera_ID_1259, NCGC00016827-01, AC1Q39OF, CAS-34381-68-5, SCHEMBL41004, MLS001076107, MLS002222219, MLS002548874, SPECTRUM1500665, CHEMBL1200813, DTXSID5045461, CTK8F7495, KS-00000FKS, HMS1568M19, HMS1921A06, Pharmakon1600-01500665, BCP28416, Tox21_110633, AC-002, BG0005, CCG-39278, HY-17497A, MFCD00078860, NSC757412, s4010, Acebutolol hydrochloride (JP17/USP), AKOS015895193, Tox21_110633_1, AB03018, API0001353, CS-2637, KS-5245, M&B 17803A, M&B-17803A, MCULE-8284913115, NC00669, NSC-757412, NCGC00018215-06, NCGC00094830-01, NCGC00094830-02, NCGC00094830-03, NCGC00094830-04, AN-16199, BC220429, CC-23635, CPD000058800, R896, SAM002264591, AX8112021, TL8002563, 4CH-016371, Acebutolol hydrochloride, analytical standard, FT-0630582, ST51014891, SW196705-3, C07677, D00597, J10323, 381A685, A822205, C-21196, I06-0329, J-019577, SR-01000000133-3, Acebutolol Hydrochloride 1.0 mg/ml in Methanol (as free base), Acebutolol hydrochloride, European Pharmacopoeia (EP) Reference Standard, Acebutolol hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, Acebutolol hydrochloride, United States Pharmacopeia (USP) Reference Standard, N-(3-acetyl-4-{2-hydroxy-3-[(methylethyl)amino]propoxy}phenyl)butanamide, chlo ride, N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butanamide hydrochloride, N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide hydrochloride, N-(3-OOo pound>>u-4-[2-oC>>u-3-(Oi+/-u degrees .>>u)+/-uNo>>u]+/-(1/2)>>u) paragraph sign inverted exclamation marko pound degrees ., N-[3-ACETYL-4-[2-HYDROXY-3-[(ISOPROPYL)AMINO]PROPOXY]PHENYL]BUTYRAMIDE HYDROCHLORIDE, Sectral, Neptal, Prent, acebutolol, Acebutololhydrochloride, UNII-B025Y34C54, C18H28N2O4.ClH, Acebutolol hydrochloride [JAN], ACN-S005481, C18-H28-N2-O4.Cl-H, CID441307, B025Y34C54, CS-T-46869, (+-)-N-[3-acetyl-4-[2-hydroxy-3-[(isopropyl)amino]propoxy]phenyl]butyramide monohydrochloride, 37517-30-9, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride, (.+-.)-, Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride, (.+.)-,

Complexity	401
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	372.182g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	372.89g/mol
Monoisotopic Mass	372.182g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	87.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H312+H332-H312-H332
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number