AG005GGA

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CAS Number	2022-29-9
Catalog Number	AG005GGA(AGN-PC-0QSRF0)
Chemical Name	Spiperone (hydrochloride)
IUPAC Name	8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
InChI	InChI=1S/C23H26FN3O2.ClH/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20;/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29);1H
InChI Key	QUIKMLCZZMOBLH-UHFFFAOYSA-N
MDL Number	MFCD00078556
Molecular Formula	C23H27ClFN3O2
Molecular Weight	431.9308
SMILES	N1(C2=CC=CC=C2)C2(CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)C(=O)NC1.[H]Cl
Synonyms	Spiperone hydrochloride, 2022-29-9, SR-01000000261, EU-0101069, SCHEMBL466892, CHEMBL1256875, CTK8G3185, AOB5209, Tox21_501069, AKOS024458725, CCG-222373, LP01069, NCGC00094348-01, NCGC00261754-01, B6540, S 7395, R 5147 hydrochloride; Spiroperidol hydrochloride, J-013129, SR-01000000261-3, SR-01000000261-4, 8-[4-(4-Fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one hydrochloride, CID11957687, 749-02-0,

Complexity	577
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	431.178g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	431.936g/mol
Monoisotopic Mass	431.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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