AG01EO36

Name: (Rac)-Pyrotinib
Brand: Angene Chemical
SKU: AG01EO36

1246089-97-3 | (Rac)-Pyrotinib

AG01EO36

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CAS Number	1246089-97-3
Catalog Number	AG01EO36(AGN-PC-3H465J)
Chemical Name	(Rac)-Pyrotinib
IUPAC Name	N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-(1-methylpyrrolidin-2-yl)prop-2-enamide
InChI	InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)
InChI Key	SADXACCFNXBCFY-UHFFFAOYSA-N
MDL Number	MFCD31619255
Molecular Formula	C32H31ClN6O3
Molecular Weight	583.0799
SMILES	C(NC1=C(OCC)C=C2C(=C1)C(NC1=CC=C(OCC3=NC=CC=C3)C(Cl)=C1)=C(C#N)C=N2)(=O)/C=C/C1CCCN1C
Synonyms	1246089-97-3, Pyrotinib, Pyrotinib Racemate, 1269662-73-8,

Complexity	960
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	582.215g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	583.089g/mol
Monoisotopic Mass	582.215g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	1
XLogP3	5.4

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