AG01EQF8

Name: Brexpiprazoledihydrochloride-OPC34712dihydrochloride
Brand: Angene Chemical
SKU: AG01EQF8

913612-38-1 | Brexpiprazoledihydrochloride-OPC34712dihydrochloride

AG01EQF8

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CAS Number	913612-38-1
Catalog Number	AG01EQF8(AGN-PC-3H479J)
Chemical Name	Brexpiprazoledihydrochloride-OPC34712dihydrochloride
IUPAC Name	7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;dihydrochloride
InChI	InChI=1S/C25H27N3O2S.2ClH/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24;;/h3-10,17-18H,1-2,11-16H2,(H,26,29);2*1H
InChI Key	XFZHLEXUSDOLPT-UHFFFAOYSA-N
MDL Number	MFCD29059914
Molecular Formula	C25H28ClN3O2S
Molecular Weight	470.0267
SMILES	Cl.O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Synonyms	Brexpiprazole dihydrochloride, OPC 34712 dihydrochloride, 7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one dihydrochloride, 913612-38-1, 913611-97-9,

Complexity	636
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	505.136g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	506.486g/mol
Monoisotopic Mass	505.136g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	73A^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