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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H22F3N5O5.ClH
Molecular Weight 553.918
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGERAFENIB HYDROCHLORIDE

SMILES

Cl.COC1=CC2=C(C=C1OC)C(OC3=CC(NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F)=CC=C3)=NC=N2

InChI

InChIKey=XCZIYUDQUDWQHI-UHFFFAOYSA-N
InChI=1S/C24H22F3N5O5.ClH/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21;/h5-12H,1-4H3,(H2,30,31,32,33);1H

HIDE SMILES / InChI

Molecular Formula C24H22F3N5O5
Molecular Weight 517.4572
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Dec 15 16:13:47 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:47 UTC 2023
Record UNII
8J0Y5N290S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGERAFENIB HYDROCHLORIDE
Common Name English
CEP-32496 HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
8J0Y5N290S
Created by admin on Fri Dec 15 16:13:47 UTC 2023 , Edited by admin on Fri Dec 15 16:13:47 UTC 2023
PRIMARY
CAS
1227678-26-3
Created by admin on Fri Dec 15 16:13:47 UTC 2023 , Edited by admin on Fri Dec 15 16:13:47 UTC 2023
PRIMARY
PUBCHEM
56954675
Created by admin on Fri Dec 15 16:13:47 UTC 2023 , Edited by admin on Fri Dec 15 16:13:47 UTC 2023
PRIMARY
SMS_ID
100000175134
Created by admin on Fri Dec 15 16:13:47 UTC 2023 , Edited by admin on Fri Dec 15 16:13:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY