SpectraBase Spectrum ID |
LoMHv3ZClvE |
Name |
Bromotopsentin |
CAS Registry Number |
112515-44-3 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H13BrN4O2 |
InChI |
InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25) |
InChIKey |
YHGQVXFIJGWOFP-UHFFFAOYSA-N |
Molecular Weight |
421.254 g/mol |
SMILES |
[nH]1c2c(c(-c3nc(C(c4c5ccc(cc5[nH]c4)O)=O)[nH]c3)c1)ccc(c2)Br |
SPLASH |
splash10-01q9-0910200000-c7a298867c12cccb3ee8 |
Source of Spectrum |
I-65-2120-0 |
Synonyms |
Topsentin B 2
[5-(6-bromanyl-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-oxidanyl-1H-indol-3-yl)methanone
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone |
Wiley ID |
1377829 |