[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535)

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CHEBI:234535 - [2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol

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ChEBI ID	CHEBI:234535
ChEBI Name	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol
Stars
ASCII Name	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol
Definition	A thienotriazolodiazepine that is brotizolam in which the methyl group at position 9 is replaced by a hydroxymethyl group. It is a metabolite of brotizolam.
Last Modified	3 July 2025
Submitter	Adnan
Downloads	Molfile

Formula	C15H10BrClN4OS
Net Charge	0
Average Mass	409.696
Monoisotopic Mass	407.94472
SMILES	OCc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2
InChI	InChI=1S/C15H10BrClN4OS/c16-11-5-9-14(8-3-1-2-4-10(8)17)18-6-12-19-20-13(7-22)21(12)15(9)23-11/h1-5,22H,6-7H2
InChIKey	SCENUYIFDLIXIB-UHFFFAOYSA-N

Roles Classification

Biological Role:

drug metabolite

ChEBI Ontology

Outgoing Relation(s)
	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535) has role drug metabolite (CHEBI:49103)
	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535) is a monochlorobenzenes (CHEBI:83403)
	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535) is a organobromine compound (CHEBI:37141)
	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535) is a primary alcohol (CHEBI:15734)
	[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol (CHEBI:234535) is a thienotriazolodiazepine (CHEBI:84232)

IUPAC Name
[2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl]methanol

Synonyms	Source
WE964	ChEBI
WE 964	ChEBI
WE-964	ChEBI
2-bromo-4-(o-chlorophenyl)-9-(hydroxymethyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine	ChEBI
2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9-methanol	ChEBI
We 964	ChEBI

Registry Numbers	Sources
CAS:62551-41-1	PubChem Compound

Citations