loading...| Preferred Name |
clorazepic acid |
|
| Synonyms |
Clorazepic acid 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid Clorazepate 7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid |
|
| Definitions |
A 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3761 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Clorazepate KEGG:C06921 Beilstein:757058 Patent:NL6507637 DrugBank:DB00628 CAS:23887-31-2 Drug_Central:711 Patent:US3516988 |
|
| definition |
A 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively. |
|
| formula |
C16H11ClN2O3 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50268 http://purl.obolibrary.org/obo/CHEBI_35474 |
|
| has_exact_synonym |
Clorazepic acid 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Clorazepate 7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid |
|
| id |
CHEBI:3761 |
|
| in_subset | ||
| 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) |
|
| inchikey |
XDDJGVMJFWAHJX-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
clorazepic acid |
|
| mass |
314.72300 |
|
| monoisotopicmass |
314.04582 |
|
| notation |
CHEBI:3761 |
|
| prefLabel |
clorazepic acid |
|
| smiles |
OC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |
|
| treeView | ||
| subClassOf |