ABT-518

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22F3NO8S
Molecular Weight	505.461
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(COC(C)(C)O1)[C@@H](CS(=O)(=O)C2=CC=C(OC3=CC=C(OC(F)(F)F)C=C3)C=C2)N(O)C=O

InChI

InChIKey=IVPPTWCRAFCOFJ-RTBURBONSA-N

InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22F3NO8S
Molecular Weight	505.461
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:39:35 GMT 2023` Edited by `admin` on `Sat Dec 16 05:39:35 GMT 2023`
Record UNII	7S00622N3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-518

Common Name

English

N-((S)-1-((S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)-2-((4-(4-(TRIFLUOROMETHOXY)PHENOXY)PHENYL)SULFONYL)ETHYL)-N-HYDROXYFORMAMIDE

Systematic Name

English

Code System Code Type Description

CAS

286845-00-9

Created by admin on Sat Dec 16 05:39:35 GMT 2023 , Edited by admin on Sat Dec 16 05:39:35 GMT 2023

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FDA UNII

7S00622N3Z

Created by admin on Sat Dec 16 05:39:35 GMT 2023 , Edited by admin on Sat Dec 16 05:39:35 GMT 2023

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EPA CompTox

DTXSID40182839

Created by admin on Sat Dec 16 05:39:35 GMT 2023 , Edited by admin on Sat Dec 16 05:39:35 GMT 2023

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PUBCHEM

9827497

Created by admin on Sat Dec 16 05:39:35 GMT 2023 , Edited by admin on Sat Dec 16 05:39:35 GMT 2023

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