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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

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 Sat Dec 16 16:09:05 UTC 2023
Edited
by admin
on Sat Dec 16 16:09:05 UTC 2023
Record UNII
ZC67ZCW3A8
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Dec 16 16:09:06 UTC 2023 , Edited by admin on Sat Dec 16 16:09:06 UTC 2023
PRIMARY
PUBCHEM
156596377
Created by admin on Sat Dec 16 16:09:06 UTC 2023 , Edited by admin on Sat Dec 16 16:09:06 UTC 2023
PRIMARY
CAS
2253649-61-3
Created by admin on Sat Dec 16 16:09:06 UTC 2023 , Edited by admin on Sat Dec 16 16:09:06 UTC 2023
PRIMARY
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