AG01E052

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CAS Number	1215333-48-4
Catalog Number	AG01E052(AGN-PC-0JPT14)
Chemical Name	GR144053 (trihydrochloride)
IUPAC Name	2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid;trihydrochloride
InChI	InChI=1S/C18H27N5O2.3ClH/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25;;;/h1-4,16H,5-13H2,(H3,19,20)(H,24,25);3*1H
InChI Key	YKRNPHOBDOUQTG-UHFFFAOYSA-N
MDL Number	MFCD11045923
Molecular Formula	C18H30Cl3N5O2
Molecular Weight	454.8221
SMILES	Cl.Cl.Cl.C(N)(=N)C1=CC=C(C=C1)N1CCN(CC1)C1CCN(CC1)CC(=O)O
Synonyms	GR 144053 trihydrochloride, 1215333-48-4, GR144053Trihydrochloride, CHEMBL1394981, BN0232, AKOS024456499, NCGC00092277-01, J-004519, 4-[4-[4-(AMINOIMINOMETHYL)PHENYL]-1-PIPERAZINYL]-1-PIPERIDINEACETIC ACID TRIHYDROCHLORIDE,

Complexity	462
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	453.147g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	454.821g/mol
Monoisotopic Mass	453.147g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.9A^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