AG00C99H

39552-01-7 | 1-[7-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-2-benzofuranyl]ethanone

AG00C99H

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CAS Number	39552-01-7
Catalog Number	AG00C99H(AGN-PC-0RK0S1)
Chemical Name	1-[7-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-2-benzofuranyl]ethanone
IUPAC Name	1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
InChI	InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
InChI Key	ZPQPDBIHYCBNIG-UHFFFAOYSA-N
MDL Number	MFCD00864594
Molecular Formula	C16H21NO4
Molecular Weight	291.3422
SMILES	O=C(C)C1=CC2=CC=CC(OCC(O)CNC(C)C)=C2O1
Synonyms	2-acetyl-7-(2-hydroxy-3-isopropylamino)propoxybenzofuran, befunolol, befunolol hydrochloride, Bentos, BFE 60, Glauconex, Befunolol, 39552-01-7, Befunolol [INN], Befunololum [INN-Latin], Befunolol HCl, BRN 3620832, Befunolol (INN), 2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran, ( inverted exclamation markA)-Befunolol, 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone, 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone, C16H21NO4, Befunololum, 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride, KETONE, 7-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2-BENZOFURANYL METHYL, AC1L1DE0, SCHEMBL78720, CHEMBL153984, 2-acetyl-7-(2-hydroxy-3-isopropylamino)propoxybenzofuran, CHEBI:135212, ZPQPDBIHYCBNIG-UHFFFAOYSA-N, Ethanone, 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)-, CS-6588, DB09013, ACM39552017, LS-87222, HY-101752, D07496, 2-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran, 1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone, (RS)-1-{7-[2-hydroxy-3-(propan-2-ylamino)propoxy]- 1-benzofuran-2-yl}ethanone, Ethanone, 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)- (9CI), Bentos, Glauconex, befunolol hydrochloride, BFE 60, UNII-418546MT3A, CID2309, C16-H21-N-O4, 418546MT3A, C006034, 1-[7-[2-hydroxy-3-[(1-methylethyl)-amino]propoxy]-2-benzofuranyl]ethanone, 1-[7-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-2-benzofuranyl]ethanone, 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-benzofuranyl methyl ketone,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.147g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	291.347g/mol
Monoisotopic Mass	291.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	71.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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