ABX-002

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NCATS

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

Structure Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 19:08:30 UTC 2023`
Record UNII	QTW4WC4BRX
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 19:08:30 UTC 2023

Code System Code Type Description

FDA UNII

QTW4WC4BRX

Created by admin on Sat Dec 16 19:08:30 UTC 2023 , Edited by admin on Sat Dec 16 19:08:30 UTC 2023

PRIMARY

PUBCHEM

132160637

Created by admin on Sat Dec 16 19:08:30 UTC 2023 , Edited by admin on Sat Dec 16 19:08:30 UTC 2023

PRIMARY

CAS

2156649-32-8

Created by admin on Sat Dec 16 19:08:30 UTC 2023 , Edited by admin on Sat Dec 16 19:08:30 UTC 2023

PRIMARY

SMS_ID

300000037779

Created by admin on Sat Dec 16 19:08:30 UTC 2023 , Edited by admin on Sat Dec 16 19:08:30 UTC 2023

PRIMARY

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Comments:

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.

Amount: