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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23FN4O2
Molecular Weight 382.4313
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SHR-116837

SMILES

CCNCCN1CCC2=C(C(C)=C(N2)\C=C3/C(=O)NC4=C3C=C(F)C=C4)C1=O

InChI

InChIKey=YTUMZRDKADJBSW-PTNGSMBKSA-N
InChI=1S/C21H23FN4O2/c1-3-23-7-9-26-8-6-17-19(21(26)28)12(2)18(24-17)11-15-14-10-13(22)4-5-16(14)25-20(15)27/h4-5,10-11,23-24H,3,6-9H2,1-2H3,(H,25,27)/b15-11-

HIDE SMILES / InChI

Molecular Formula C21H23FN4O2
Molecular Weight 382.4313
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:08:26 UTC 2023
Edited
by admin
on Sat Dec 16 14:08:26 UTC 2023
Record UNII
ULH0LX6JDG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SHR-116837
Code English
4H-PYRROLO(3,2-C)PYRIDIN-4-ONE, 5-(2-(ETHYLAMINO)ETHYL)-2-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-1,5,6,7-TETRAHYDRO-3-METHYL
Systematic Name English
FAMITINIB METABOLITE M3
Common Name English
Code System Code Type Description
CAS
1044039-04-4
Created by admin on Sat Dec 16 14:08:26 UTC 2023 , Edited by admin on Sat Dec 16 14:08:26 UTC 2023
PRIMARY
PUBCHEM
59139735
Created by admin on Sat Dec 16 14:08:26 UTC 2023 , Edited by admin on Sat Dec 16 14:08:26 UTC 2023
PRIMARY
FDA UNII
ULH0LX6JDG
Created by admin on Sat Dec 16 14:08:26 UTC 2023 , Edited by admin on Sat Dec 16 14:08:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE