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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21Cl2NO3
Molecular Weight 382.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABX-002

SMILES

CNC(=O)COC1=CC(Cl)=C(CC2=CC(C(C)C)=C(O)C=C2)C(Cl)=C1

InChI

InChIKey=CQELSEDWYWTMDG-UHFFFAOYSA-N
InChI=1S/C19H21Cl2NO3/c1-11(2)14-6-12(4-5-18(14)23)7-15-16(20)8-13(9-17(15)21)25-10-19(24)22-3/h4-6,8-9,11,23H,7,10H2,1-3H3,(H,22,24)

HIDE SMILES / InChI

Molecular Formula C19H21Cl2NO3
Molecular Weight 382.281
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 Sat Dec 16 19:08:30 GMT 2023
Edited
by admin
on Sat Dec 16 19:08:30 GMT 2023
Record UNII
QTW4WC4BRX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABX-002
Code English
2-(3,5-DICHLORO-4-((4-HYDROXY-3-(PROPAN-2-YL)PHENYL)METHYL)PHENOXY)-N-METHYLACETAMIDE
Systematic Name English
ACETAMIDE, 2-(3,5-DICHLORO-4-((4-HYDROXY-3-(1-METHYLETHYL)PHENYL)METHYL)PHENOXY)-N-METHYL-
Systematic Name English
MA-JD21
Code English
MA-JD-21
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 827821
Created by admin on Sat Dec 16 19:08:30 GMT 2023 , Edited by admin on Sat Dec 16 19:08:30 GMT 2023
Code System Code Type Description
FDA UNII
QTW4WC4BRX
Created by admin on Sat Dec 16 19:08:30 GMT 2023 , Edited by admin on Sat Dec 16 19:08:30 GMT 2023
PRIMARY
PUBCHEM
132160637
Created by admin on Sat Dec 16 19:08:30 GMT 2023 , Edited by admin on Sat Dec 16 19:08:30 GMT 2023
PRIMARY
CAS
2156649-32-8
Created by admin on Sat Dec 16 19:08:30 GMT 2023 , Edited by admin on Sat Dec 16 19:08:30 GMT 2023
PRIMARY
SMS_ID
300000037779
Created by admin on Sat Dec 16 19:08:30 GMT 2023 , Edited by admin on Sat Dec 16 19:08:30 GMT 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
METABOLITE ACTIVE -> PRODRUG
ABX-002 enhanced delivery of LL-340001 to the brain by 30x and induced T3-dependent gene expression in the brain and liver at 13 μg/kg p.o.