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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32F2N6O5
Molecular Weight 570.5877
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Irpagratinib

SMILES

COC1=CC(OC)=C(F)C(C2=CC3=C(N=C(N[C@@H]4COCC[C@@H]4NC(=O)C=C)N=C3)C(=N2)N5CC(C)(C5)OC)=C1F

InChI

InChIKey=PGRHEHZIRYNZDV-FUHWJXTLSA-N
InChI=1S/C28H32F2N6O5/c1-6-21(37)32-16-7-8-41-12-18(16)34-27-31-11-15-9-17(22-23(29)19(38-3)10-20(39-4)24(22)30)33-26(25(15)35-27)36-13-28(2,14-36)40-5/h6,9-11,16,18H,1,7-8,12-14H2,2-5H3,(H,32,37)(H,31,34,35)/t16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H32F2N6O5
Molecular Weight 570.5877
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:13:35 GMT 2023
Edited
by admin
on Sat Dec 16 20:13:35 GMT 2023
Record UNII
X46B7JM4A8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Irpagratinib
INN  
Official Name English
irpagratinib [INN]
Common Name English
N-[(3S,4S)-3-[[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]-2-propenamide
Systematic Name English
2-Propenamide, N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
135181440
Created by admin on Sat Dec 16 20:13:35 GMT 2023 , Edited by admin on Sat Dec 16 20:13:35 GMT 2023
PRIMARY
FDA UNII
X46B7JM4A8
Created by admin on Sat Dec 16 20:13:35 GMT 2023 , Edited by admin on Sat Dec 16 20:13:35 GMT 2023
PRIMARY
CAS
2230974-62-4
Created by admin on Sat Dec 16 20:13:35 GMT 2023 , Edited by admin on Sat Dec 16 20:13:35 GMT 2023
PRIMARY
INN
12691
Created by admin on Sat Dec 16 20:13:35 GMT 2023 , Edited by admin on Sat Dec 16 20:13:35 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY