AG00A0IT

Name: XMD16-5
Brand: Angene Chemical
SKU: AG00A0IT

1345098-78-3 | XMD16-5

AG00A0IT

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CAS Number	1345098-78-3
Catalog Number	AG00A0IT(AGN-PC-0WGDF1)
Chemical Name	XMD16-5
IUPAC Name	2-[4-(4-hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
InChI	InChI=1S/C23H24N6O2/c1-28-20-5-3-2-4-18(20)22(31)26-19-14-24-23(27-21(19)28)25-15-6-8-16(9-7-15)29-12-10-17(30)11-13-29/h2-9,14,17,30H,10-13H2,1H3,(H,26,31)(H,24,25,27)
InChI Key	AGLKBEPKKDHHKY-UHFFFAOYSA-N
MDL Number	MFCD30738049
Molecular Formula	C23H24N6O2
Molecular Weight	416.4757
SMILES	O=C1NC2=CN=C(N=C2N(C=3C=CC=CC13)C)NC4=CC=C(C=C4)N5CCC(O)CC5
Synonyms	XMD16-5, 1345098-78-3, SCHEMBL16065780, BDBM86612, BCP19605, EX-A1297, s8273, ZINC87723473, AKOS030632026, CS-6440, AK684353, HY-101243, Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 18, 2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, AGLKBEPKKDHHKY-UHFFFAOYSA-N,

Complexity	619
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	416.196g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	416.485g/mol
Monoisotopic Mass	416.196g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	93.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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