AG01EPL7

Name: 4-[2-(4-chlorophenyl)ethyl]-1-piperidinecarboxylicacid,7-[4-(dimethylamino)benzoyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-ylester
Brand: Angene Chemical
SKU: AG01EPL7

1831135-30-8 | 4-[2-(4-chlorophenyl)ethyl]-1-piperidinecarboxylicacid,7-[4-(dimethylamino)benzoyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-ylester

Chemical structure of 4-[2-(4-chlorophenyl)ethyl]-1-piperidinecarboxylicacid,7-[4-(dimethylamino)benzoyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-ylester, CAS 1831135-30-8

AG01EPL7

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CAS Number	1831135-30-8
Catalog Number	AG01EPL7(AGN-PC-3H46PM)
Chemical Name	4-[2-(4-chlorophenyl)ethyl]-1-piperidinecarboxylicacid,7-[4-(dimethylamino)benzoyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-ylester
IUPAC Name	[7-[4-(dimethylamino)benzoyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
InChI	InChI=1S/C29H34ClN5O5/c1-31(2)24-11-7-22(8-12-24)26(36)33-17-18-34-25(19-33)27(37)35(28(34)38)40-29(39)32-15-13-21(14-16-32)4-3-20-5-9-23(30)10-6-20/h5-12,21,25H,3-4,13-19H2,1-2H3
InChI Key	RISSJZZMOJQTIN-UHFFFAOYSA-N
MDL Number	MFCD13191283
Molecular Formula	C29H34ClN5O5
Molecular Weight	568.0638
SMILES	CN(C)C(C=C1)=CC=C1C(N2CCN(C(N(OC(N3CCC(CCC4=CC=C(Cl)C=C4)CC3)=O)C5=O)=O)C5C2)=O
Synonyms	JJH260, 7-(4-(dimethylamino)benzoyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 4-(4-chlorophenethyl)piperidine-1-carboxylate, SCHEMBL17275269, BDBM195604, SR-02000002577, SR-02000002577-1, 1831135-30-8, 4-[2-(4-chlorophenyl)ethyl]-1-piperidinecarboxylicacid,7-[4-(dimethylamino)benzoyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-ylester,

Complexity	941
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	567.225g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	568.071g/mol
Monoisotopic Mass	567.225g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	93.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited