U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N7O2
Molecular Weight 485.5807
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZ-5104

SMILES

COC1=C(NC2=NC=CC(=N2)C3=CNC4=CC=CC=C34)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C27H31N7O2
Molecular Weight 485.5807
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 Sat Dec 16 14:37:13 UTC 2023
Edited
by admin
on Sat Dec 16 14:37:13 UTC 2023
Record UNII
2DWZ6SE1E1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZ-5104
Code English
N-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)-5-((4-(1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-4-METHOXYPHENYL)-2-PROPENAMIDE
Systematic Name English
OSIMERTINIB METABOLITE M6
Common Name English
AZ5104
Code English
2-PROPENAMIDE, N-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)-5-((4-(1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-4-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
1421373-98-9
Created by admin on Sat Dec 16 14:37:13 UTC 2023 , Edited by admin on Sat Dec 16 14:37:13 UTC 2023
PRIMARY
PUBCHEM
71496460
Created by admin on Sat Dec 16 14:37:13 UTC 2023 , Edited by admin on Sat Dec 16 14:37:13 UTC 2023
PRIMARY
FDA UNII
2DWZ6SE1E1
Created by admin on Sat Dec 16 14:37:13 UTC 2023 , Edited by admin on Sat Dec 16 14:37:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
FECAL; URINE
PARENT -> METABOLITE
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC