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Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N7O2
Molecular Weight 485.5818
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-2-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)PHENYL)-2-PROPENAMIDE

SMILES

C=CC(=Nc1cc(c(cc1N(C)CCNC)OC)Nc2nccc(-c3cn(C)c4ccccc34)n2)O

InChI

InChIKey=ZROCWKZRGJYPTG-UHFFFAOYSA-N
InChI=1S/C27H31N7O2/c1-6-26(35)30-21-15-22(25(36-5)16-24(21)33(3)14-13-28-2)32-27-29-12-11-20(31-27)19-17-34(4)23-10-8-7-9-18(19)23/h6-12,15-17,28H,1,13-14H2,2-5H3,(H,30,35)(H,29,31,32)

HIDE SMILES / InChI

Molecular Formula C27H31N7O2
Molecular Weight 485.5818
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:34:25 UTC 2021
Edited
by admin
on Fri Jun 25 22:34:25 UTC 2021
Record UNII
NI2ZUZ6F4O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-2-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)PHENYL)-2-PROPENAMIDE
Systematic Name English
OSIMERTINIB METABOLITE M3
Common Name English
AZ-7550
Code English
AZ7550
Code English
2-PROPENAMIDE, N-(4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-2-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
NI2ZUZ6F4O
Created by admin on Fri Jun 25 22:34:25 UTC 2021 , Edited by admin on Fri Jun 25 22:34:25 UTC 2021
PRIMARY
CAS
1421373-99-0
Created by admin on Fri Jun 25 22:34:25 UTC 2021 , Edited by admin on Fri Jun 25 22:34:25 UTC 2021
PRIMARY
PUBCHEM
71496459
Created by admin on Fri Jun 25 22:34:25 UTC 2021 , Edited by admin on Fri Jun 25 22:34:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
FECAL; URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC