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> Main
CHEBI:31269 - Benzylhydrochlorothiazide
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ChEBI Ontology
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ChEBI Name
Benzylhydrochlorothiazide
ChEBI ID
CHEBI:31269
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Molfile
Formulae
C14H14ClN3O4S2
C14H14ClN3O4S2
Net Charge
0
Average Mass
387.864
Monoisotopic Mass
387.01143
InChI
InChI=1S/C14H14ClN3O4S2/c15-
10-
7-
11-
13(8-
12(10)
23(16,19)
20)
24(21,22)
18-
14(17-
11)
6-
9-
4-
2-
1-
3-
5-
9/h1-
5,7-
8,14,17-
18H,6H2,(H2,16,19,20)
InChIKey
BWSSMIJUDVUASQ-UHFFFAOYSA-N
SMILES
C12=C(C=C(S(N)(=O)=O)C(=C1)Cl)S(NC(N2)CC=3C=CC=CC3)(=O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Benzylhydrochlorothiazide (
CHEBI:31269
)
is a
benzenes (
CHEBI:22712
)
Benzylhydrochlorothiazide (
CHEBI:31269
)
is a
benzothiadiazine (
CHEBI:50265
)
Benzylhydrochlorothiazide (
CHEBI:31269
)
is a
organochlorine compound (
CHEBI:36683
)
Benzylhydrochlorothiazide (
CHEBI:31269
)
is a
secondary amino compound (
CHEBI:50995
)
Benzylhydrochlorothiazide (
CHEBI:31269
)
is a
sulfonamide (
CHEBI:35358
)
Synonyms
Sources
behyd
DrugCentral
benclortriazide
DrugCentral
benzclortriazide
DrugCentral
Benzylhydrochlorothiazide
KEGG COMPOUND
Manual Xrefs
Databases
336
DrugCentral
C12675
KEGG COMPOUND
D01246
KEGG DRUG
View more database links
Registry Number
Type
Source
1824-50-6
CAS Registry Number
KEGG COMPOUND
Last Modified
13 March 2018