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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | chlordiazepoxide | |
| Synonyms |
chlordiazepoxidum chlordiazepoxide base chlordiazepoxide 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide methaminodiazepoxide CDP Helogaphen Libritabs Multum Risolid Silibrin Tropium clopoxide 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide |
|
| Definitions |
A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3611 |
|
| alternative term |
chlordiazepoxidum chlordiazepoxide base chlordiazepoxide 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide methaminodiazepoxide CDP Helogaphen Libritabs Multum Risolid Silibrin Tropium clopoxide 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
|
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35474 |
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Chlordiazepoxide PMID:17049372 KEGG:D00267 Drug_Central:594 Beilstein:550356 Patent:US3122474 Patent:MY6500040 DrugBank:DB00475 Reaxys:550356 HMDB:HMDB0014618 Patent:US2893992 PMID:9632243 PMID:19643124 CAS:58-25-3
|
|
| definition |
A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.
|
|
| formula |
C16H14ClN3O
|
|
| has_exact_synonym |
7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
chlordiazepoxidum chlordiazepoxide base chlordiazepoxide 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide methaminodiazepoxide CDP Helogaphen Libritabs Multum Risolid Silibrin Tropium clopoxide
|
|
| id |
CHEBI:3611
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
|
|
| inchikey |
ANTSCNMPPGJYLG-UHFFFAOYSA-N
|
|
| label |
chlordiazepoxide
|
|
| mass |
299.75500
|
|
| monoisotopicmass |
299.08254
|
|
| notation |
CHEBI:3611
|
|
| prefLabel |
chlordiazepoxide
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35474 |
|
| smiles |
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=N(=O)C1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35580 http://purl.obolibrary.org/obo/CHEBI_50995 |
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