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Details

Stereochemistry RACEMIC
Molecular Formula C29H22Cl3NO4
Molecular Weight 554.848
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PX-20606

SMILES

OC(=O)C1=CC=C(C=C1)[C@H]2C[C@@H]2C3=CC=C(OCC4=C(ON=C4C5=C(Cl)C=CC=C5Cl)C6CC6)C=C3Cl

InChI

InChIKey=XBUXXJUEBFDQHD-NHCUHLMSSA-N
InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PX-20606
Common Name English
PX 20606
Code English
BENZOIC ACID, 4-(2-(2-CHLORO-4-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-4-ISOXAZOLYL)METHOXY)PHENYL)CYCLOPROPYL)-
Systematic Name English
4-(2-(2-CHLORO-4-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-4-ISOXAZOLYL)METHOXY)PHENYL)CYCLOPROPYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
1268244-85-4
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545113
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
PX-20606
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
PRIMARY MedKoo CAT NO: 522554, CAS NO: 1268245-19-7(free acid)Description: PX20606, also known as PX-102, is a FXR agonist. PX20606 induces high-density lipoprotein-mediated transhepatic cholesterol efflux in mice and monkeys and prevent atherosclerosis in cholesteryl ester transfer protein transgenic low-density lipoprotein receptor (-/-) mice. PX20606 demonstrated potent plasma cholesterol-lowering activity that affected all lipoprotein species. (last updated: 3/21/2016).
CAS
1268245-19-7
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
6TU6SUZ3BY
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
PRIMARY
PUBCHEM
118374999
Created by admin on Sat Dec 16 11:43:26 UTC 2023 , Edited by admin on Sat Dec 16 11:43:26 UTC 2023
PRIMARY