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

Details

Stereochemistry RACEMIC
Molecular Formula C30H23BrO4
Molecular Weight 527.405
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA-BROMADIOLONE

SMILES

O[C@H](C[C@H](C1=CC=CC=C1)C2=C(O)C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)C5=CC=C(Br)C=C5

InChI

InChIKey=OWNRRUFOJXFKCU-CLJLJLNGSA-N
InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2/t25-,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALPHA-BROMADIOLONE
ISO  
Official Name English
2H-1-BENZOPYRAN-2-ONE, 3-((1R,3S)-3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-, REL-
Systematic Name English
REL-3-((1R,3S)-3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
3-(3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
ALPHA-BROMADIOLONE [ISO]
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-, (R*,S*)-
Systematic Name English
Code System Code Type Description
ALANWOOD
alpha-bromadiolone
Created by admin on Sat Dec 16 19:08:54 GMT 2023 , Edited by admin on Sat Dec 16 19:08:54 GMT 2023
PRIMARY
CAS
198015-15-5
Created by admin on Sat Dec 16 19:08:54 GMT 2023 , Edited by admin on Sat Dec 16 19:08:54 GMT 2023
PRIMARY
PUBCHEM
76956796
Created by admin on Sat Dec 16 19:08:54 GMT 2023 , Edited by admin on Sat Dec 16 19:08:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID501337346
Created by admin on Sat Dec 16 19:08:54 GMT 2023 , Edited by admin on Sat Dec 16 19:08:54 GMT 2023
PRIMARY
FDA UNII
9B9M3N32JT
Created by admin on Sat Dec 16 19:08:54 GMT 2023 , Edited by admin on Sat Dec 16 19:08:54 GMT 2023
PRIMARY