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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H33ClF3NO3
Molecular Weight 596.079
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABEQUOLIXRON

SMILES

C[C@H](CCOC1=CC(CC(O)=O)=CC=C1)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(Cl)C(=CC=C4)C(F)(F)F

InChI

InChIKey=ZLJZDYOBXVOTSA-XMMPIXPASA-N
InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H33ClF3NO3
Molecular Weight 596.079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:36:24 UTC 2023
Edited
by admin
on Sat Dec 16 18:36:24 UTC 2023
Record UNII
Q26B92650V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABEQUOLIXRON
USAN   INN  
Official Name English
abequolixron [INN]
Common Name English
BENZENEACETIC ACID, 3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)-
Systematic Name English
RGX-104
Code English
ABEQUOLIXRON [USAN]
Common Name English
(3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2- DIPHENYLETHYL)AMINO)BUTOXY)PHENYL)ACETIC ACID
Systematic Name English
Abequolixron [WHO-DD]
Common Name English
2-(3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)PHENYL)ACETIC ACID
Systematic Name English
SB-742881
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 483015
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
FDA ORPHAN DRUG 483215
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
FDA ORPHAN DRUG 483115
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
Code System Code Type Description
INN
11555
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY INN
PUBCHEM
10218693
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
USAN
KL-07
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
CAS
610318-54-2
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
SMS_ID
300000032273
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
FDA UNII
Q26B92650V
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
NCI_THESAURUS
C131910
Created by admin on Sat Dec 16 18:36:24 UTC 2023 , Edited by admin on Sat Dec 16 18:36:24 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY