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CHEBI:751441 - parapenzolate bromide

Default Structure
ChEBI IDCHEBI:751441
ChEBI Nameparapenzolate bromide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaBr.C21H26NO3
Net Charge0
Average Mass420.347
Monoisotopic Mass419.10961
SMILESC[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.[Br-]
InChIInChI=1S/C21H26NO3.BrH/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19,24H,13-16H2,1-2H3;1H/q+1;/p-1
InChIKeyNHTZWXHFTDRAEO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
parapenzolate bromide (CHEBI:751441) is a diarylmethane (CHEBI:51614)
INNs  Source
bromure de parapenzolateWHO MedNet
bromuro de parapenzolatoWHO MedNet
Synonyms  Source
SCH 3444ChEMBL
SCH-3444ChEMBL