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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C34H32ClF3NO3.Zn
Molecular Weight 1255.551
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABEQUOLIXRON ZINC

SMILES

[Zn++].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.C[C@H](CCOC5=CC(CC([O-])=O)=CC=C5)N(CC(C6=CC=CC=C6)C7=CC=CC=C7)CC8=C(Cl)C(=CC=C8)C(F)(F)F

InChI

InChIKey=NKDIMXHKTSYXIU-WLHYKHABSA-L
InChI=1S/2C34H33ClF3NO3.Zn/c2*1-24(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*2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);/q;;+2/p-2/t2*24-;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABEQUOLIXRON ZINC
USAN  
Official Name English
BENZENEACETIC ACID, 3-((3R)-3-(((2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)METHYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)-, ZINC SALT (2:1)
Systematic Name English
RGX-104 ZINC
Code English
ABEQUOLIXRON ZINC [USAN]
Common Name English
(R)-2-(3-(3-((2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL)(2,2-DIPHENYLETHYL)AMINO)BUTOXY)PHENYL)ACETIC ACID, ZINC SALT (2:1)
Systematic Name English
Code System Code Type Description
SMS_ID
300000044779
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY
USAN
KL-08
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY
NCI_THESAURUS
C188647
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY
FDA UNII
W4K33W5F39
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY
CAS
2648455-06-3
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY
PUBCHEM
162623548
Created by admin on Sat Dec 16 18:41:51 GMT 2023 , Edited by admin on Sat Dec 16 18:41:51 GMT 2023
PRIMARY