AG01EOAC

Name: IKK-IN-1
Brand: Angene Chemical
SKU: AG01EOAC

406211-06-1 | IKK-IN-1

AG01EOAC

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COA

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CAS Number	406211-06-1
Catalog Number	AG01EOAC(AGN-PC-0ROJCN)
Chemical Name	IKK-IN-1
IUPAC Name	7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-4-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;hydrochloride
InChI	InChI=1S/C22H25N3O4.ClH/c26-18-2-1-3-19(28-11-13-4-5-13)20(18)17-10-15(14-6-8-23-9-7-14)16-12-29-22(27)25-21(16)24-17;/h1-3,10,13-14,23,26H,4-9,11-12H2,(H,24,25,27);1H
InChI Key	PLLAQIZOLUOIRN-UHFFFAOYSA-N
MDL Number	MFCD31560492
Molecular Formula	C22H26ClN3O4
Molecular Weight	431.9125
SMILES	C12N=C(C=C(C3CCNCC3)C=1COC(=O)N2)C1C(=CC=CC=1OCC1CC1)O.Cl
Synonyms	IKK-IN-1, 406211-06-1, CS-7865, HY-13873, 2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(4-piperidinyl)- (hydrochloride)(1:1),

Complexity	580
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	431.161g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	431.917g/mol
Monoisotopic Mass	431.161g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited