AG01EO4I

Name: Niraparib metabolite M1
Brand: Angene Chemical
SKU: AG01EO4I

1476777-06-6 | Niraparib metabolite M1

AG01EO4I

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CAS Number	1476777-06-6
Catalog Number	AG01EO4I(AGN-PC-3H466F)
Chemical Name	Niraparib metabolite M1
IUPAC Name	2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid
InChI	InChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1
InChI Key	HDQHGRLURKGIFL-CQSZACIVSA-N
MDL Number	MFCD30534402
Molecular Formula	C19H19N3O2
Molecular Weight	321.3731
SMILES	N1=C2C(C=CC=C2C(O)=O)=CN1C1=CC=C([C@@H]2CCCNC2)C=C1
Synonyms	Niraparib metabolite M1, CHEMBL3427055, 1476777-06-6, SCHEMBL20757750, HY-G0023, BDBM50084624, MFCD30534402, AKOS032945093, ZINC299851605, CS-6087, (S)-2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxylic acid,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	321.148g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	321.38g/mol
Monoisotopic Mass	321.148g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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