AG008STA

1094042-01-9 | 2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride

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CAS Number	1094042-01-9
Catalog Number	AG008STA(AGN-PC-0JEKSC)
Chemical Name	2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride
IUPAC Name	2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
InChI	InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
InChI Key	NUIKTBLZSPQGCP-UHFFFAOYSA-N
MDL Number	MFCD12912402
Molecular Formula	C23H27N3O4
Molecular Weight	409.4782
SMILES	CCOC1=CC=C(C2=NC(C3=CC=CC4=C3CCC4NCCO)=NO2)C=C1OCC
Synonyms	2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl amino)ethanol, CYM-5442, CYM5442, 1094042-01-9, CYM5442, CYM-5442, CYM 5442, 2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethan-1-ol, 2-((4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)amino)ethanol, 2-((4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)amino)ethan-1-ol, 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol, GTPL2928, SCHEMBL1413272, CHEMBL3922179, AOB4041, DTXSID70648731, EX-A903, BCP16797, MFCD12912402, AKOS027250728, NCGC00370878-01, 2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride, AN-17004, AS-16780, CYM-5442, >=98% (HPLC), SR-03000000521-1, 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]ethanol, 2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl amino) ethanol, CYM 5442 hydrochloride, D00ZXX, NUIKTBLZSPQGCP-UHFFFAOYSA-N, C532995, 2-(4-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1h-inden-1-yl amino)ethanol,

Complexity	525
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	409.2g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	409.486g/mol
Monoisotopic Mass	409.2g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

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