AG0070RI

473727-83-2 | (R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)benzamide

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CAS Number	473727-83-2
Catalog Number	AG0070RI(AGN-PC-0RV42Y)
Chemical Name	(R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)benzamide
IUPAC Name	2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
InChI	InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
InChI Key	RXIUEIPPLAFSDF-CYBMUJFWSA-N
MDL Number	MFCD16628072
Molecular Formula	C21H23N3O5
Molecular Weight	397.4244
SMILES	CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C
Synonyms	2-hydroxy-N,N-dimethyl-3-(2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-enylamino)benzamide, MK-7123, SCH 527123, SCH-527123, SCH527123, 473727-83-2, Navarixin, SCH 527123, Sch527123, SCH-527123, (R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)benzamide, MK-7123, CHEMBL216981, (R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide, SCHEMBL184744, GTPL8497, CTK8B8735, KS-00001CQK, ANW-61143, BDBM50200880, MK7123, AKOS016003539, ZINC100033051, CS-0609, NCGC00390675-01, HY-10198, AX8217127, TC-149888, A11555, W-5650, SCH 527123,CAS:473727-83-2, (R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)a, 2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxo-1-cyclobutenyl]amino]benzamide, 2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobut-1-enylamino}benzamide, UNII-4GMU5HUX5I, D00QKI, D06HMI, RXIUEIPPLAFSDF-CYBMUJFWSA-N, CID9865554, MK 7123, PS-291822, A3802, PF-00547659,

Complexity	704
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	397.164g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	397.431g/mol
Monoisotopic Mass	397.164g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H410
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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