U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H16BrNO5S
Molecular Weight 438.292
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((5-BROMO-2-PYRIDINYL)OXY)-5,5-DIMETHYL-4-(4-(METHYLSULFONYL)PHENYL)-2(5H)-FURANONE

SMILES

CC1(C)OC(=O)C(OC2=NC=C(Br)C=C2)=C1C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=XCNHDBDVIVAJHX-UHFFFAOYSA-N
InChI=1S/C18H16BrNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H16BrNO5S
Molecular Weight 438.292
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 09:08:18 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:18 GMT 2023
Record UNII
2Y89BQT8CV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((5-BROMO-2-PYRIDINYL)OXY)-5,5-DIMETHYL-4-(4-(METHYLSULFONYL)PHENYL)-2(5H)-FURANONE
Systematic Name English
L-778736
Code English
L778736
Code English
2(5H)-FURANONE, 3-((5-BROMO-2-PYRIDINYL)OXY)-5,5-DIMETHYL-4-(4-(METHYLSULFONYL)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
2Y89BQT8CV
Created by admin on Sat Dec 16 09:08:18 GMT 2023 , Edited by admin on Sat Dec 16 09:08:18 GMT 2023
PRIMARY
CAS
189954-65-2
Created by admin on Sat Dec 16 09:08:18 GMT 2023 , Edited by admin on Sat Dec 16 09:08:18 GMT 2023
PRIMARY
PUBCHEM
9932828
Created by admin on Sat Dec 16 09:08:18 GMT 2023 , Edited by admin on Sat Dec 16 09:08:18 GMT 2023
PRIMARY