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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H23F7N2O4
Molecular Weight 548.4499
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ASP-7035

SMILES

C[C@@H](F)COC1=CC=C(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)C3=CC(F)=CC=C23)C(=C1)C(F)(F)F

InChI

InChIKey=VSXSHTIGQAUGMW-VCRXTVNUSA-N
InChI=1S/C25H23F7N2O4/c1-14(26)13-38-16-3-4-17(20(11-16)25(30,31)32)23(37)34-8-6-24(28,29)19(12-22(36)33-7-9-35)18-10-15(27)2-5-21(18)34/h2-5,10-12,14,35H,6-9,13H2,1H3,(H,33,36)/b19-12-/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H23F7N2O4
Molecular Weight 548.4499
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:17:43 GMT 2023
Edited
by admin
on Sat Dec 16 14:17:43 GMT 2023
Record UNII
NP36WMM1PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASP-7035
Code English
ACETAMIDE, N-(2-HYDROXYETHYL)-2-(4,4,7-TRIFLUORO-1-(4-((2R)-2-FLUOROPROPOXY)-2-(TRIFLUOROMETHYL)BENZOYL)-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPIN-5-YLIDENE)-, (2Z)-
Common Name English
ASP7035
Code English
N-(2-HYDROXYETHYL)-2-((Z)-4,4,7-TRIFLUORO-1-(4-((R)-2-FLUOROPROPOXY)-2- (TRIFLUOROMETHYL)BENZOYL)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-5-YLIDENE)ACETAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
NP36WMM1PF
Created by admin on Sat Dec 16 14:17:43 GMT 2023 , Edited by admin on Sat Dec 16 14:17:43 GMT 2023
PRIMARY
SMS_ID
300000002624
Created by admin on Sat Dec 16 14:17:43 GMT 2023 , Edited by admin on Sat Dec 16 14:17:43 GMT 2023
PRIMARY
PUBCHEM
11478371
Created by admin on Sat Dec 16 14:17:43 GMT 2023 , Edited by admin on Sat Dec 16 14:17:43 GMT 2023
PRIMARY
CAS
790694-26-7
Created by admin on Sat Dec 16 14:17:43 GMT 2023 , Edited by admin on Sat Dec 16 14:17:43 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY