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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:59590 - clorazepic acid anion
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ChEBI Name
clorazepic acid anion
ChEBI ID
CHEBI:59590
Definition
The anion resulting from the removal of a proton from the carboxylic acid group of clorazepic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C16H10ClN2O3
Net Charge
-1
Average Mass
313.71500
Monoisotopic Mass
313.03854
InChI
InChI=1S/C16H11ClN2O3/c17-
10-
6-
7-
12-
11(8-
10)
13(9-
4-
2-
1-
3-
5-
9)
19-
14(16(21)
22)
15(20)
18-
12/h1-
8,14H,(H,18,20)
(H,21,22)
/p-
1
InChIKey
XDDJGVMJFWAHJX-UHFFFAOYSA-M
SMILES
[O-]C(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
ChEBI Ontology
Outgoing
clorazepic acid anion (
CHEBI:59590
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
clorazepic acid anion (
CHEBI:59590
)
is conjugate base of
clorazepic acid (
CHEBI:3761
)
Incoming
clorazepate monopotassium (
CHEBI:59591
)
has part
clorazepic acid anion (
CHEBI:59590
)
clorazepic acid (
CHEBI:3761
)
is conjugate acid of
clorazepic acid anion (
CHEBI:59590
)
IUPAC Name
7-chloro-2-oxo-5-phenyl-2,3-dihydro-1
H
-1,4-benzodiazepine-3-carboxylate
Synonyms
Sources
7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1
H
-1,4-benzodiazepine-3-carboxylate
ChEBI
clorazepate
ChEBI
Registry Number
Type
Source
8125954
Beilstein Registry Number
Beilstein
Last Modified
08 June 2010