(2S,3S,4S,5R,6S)-6-((E)-((3-BROMO-4-FLUORO-ANILINO)-(4-(2-(SULFAMOYLAMINO)ETHYLAMINO)-1,2,5-OXADIAZOL-3-YL)METHYLENE)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21BrFN7O10S
Molecular Weight	614.357
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-((E)-((3-BROMO-4-FLUORO-ANILINO)-(4-(2-(SULFAMOYLAMINO)ETHYLAMINO)-1,2,5-OXADIAZOL-3-YL)METHYLENE)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

NS(=O)(=O)NCCNC1=NON=C1\C(NC2=CC(Br)=C(F)C=C2)=N/O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=IZSSMTIDSIZWMA-QLLRCSDMSA-N

InChI=1S/C17H21BrFN7O10S/c18-7-5-6(1-2-8(7)19)23-15(9-14(26-36-24-9)21-3-4-22-37(20,32)33)25-35-17-12(29)10(27)11(28)13(34-17)16(30)31/h1-2,5,10-13,17,22,27-29H,3-4H2,(H,21,26)(H,23,25)(H,30,31)(H2,20,32,33)/t10-,11-,12+,13-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H21BrFN7O10S
Molecular Weight	614.357
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 21:40:08 UTC 2023` Edited by `admin` on `Thu Jul 06 21:40:08 UTC 2023`
Record UNII	ZC67ZCW3A8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-((E)-((3-BROMO-4-FLUORO-ANILINO)-(4-(2-(SULFAMOYLAMINO)ETHYLAMINO)-1,2,5-OXADIAZOL-3-YL)METHYLENE)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

INCB-056867

Code

English

EPACADOSTAT METABOLITE M9

Common Name

English

Code System Code Type Description

FDA UNII

ZC67ZCW3A8

Created by admin on Thu Jul 06 21:40:08 UTC 2023 , Edited by admin on Thu Jul 06 21:40:08 UTC 2023

PRIMARY

PUBCHEM

156596377

Created by admin on Thu Jul 06 21:40:08 UTC 2023 , Edited by admin on Thu Jul 06 21:40:08 UTC 2023

PRIMARY

CAS

2253649-61-3

Created by admin on Thu Jul 06 21:40:08 UTC 2023 , Edited by admin on Thu Jul 06 21:40:08 UTC 2023

PRIMARY

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PLASMA