loading...| Preferred Name | chloral hydrate | |
| Synonyms |
Aquachloral Supprettes 2,2,2-trichloro-1,1-ethanediol Trichloracetaldehyd-hydrat Chloralhydrat trichloroacetaldehyde hydrate 1,1,1-trichloro-2,2-ethanediol knockout drops chloral monohydrate 1,1,1-trichloro-2,2-dihydroxyethane Noctec Somnote Chloral hydrate 2,2,2-trichloroethane-1,1-diol |
|
| Definitions |
An organochlorine compound that is the hydrate of trichloroacetaldehyde. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28142 |
|
| alternative term |
Aquachloral Supprettes 2,2,2-trichloro-1,1-ethanediol Trichloracetaldehyd-hydrat Chloralhydrat trichloroacetaldehyde hydrate 1,1,1-trichloro-2,2-ethanediol knockout drops chloral monohydrate 1,1,1-trichloro-2,2-dihydroxyethane Noctec Somnote Chloral hydrate 2,2,2-trichloroethane-1,1-diol |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38869 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:1698497 CAS:302-17-0 KEGG:D00265 Gmelin:101369 KEGG:C06899 Drug_Central:586 MetaCyc:CPD0-1476 UM-BBD_compID:c0011 DrugBank:DB01563 PPDB:2987 VSDB:2987 |
|
| definition |
An organochlorine compound that is the hydrate of trichloroacetaldehyde. |
|
| formula |
C2H3Cl3O2 |
|
| has_alternative_id |
CHEBI:23105 CHEBI:3600 |
|
| has_exact_synonym |
Chloral hydrate 2,2,2-trichloroethane-1,1-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Aquachloral Supprettes 2,2,2-trichloro-1,1-ethanediol Trichloracetaldehyd-hydrat Chloralhydrat trichloroacetaldehyde hydrate 1,1,1-trichloro-2,2-ethanediol knockout drops chloral monohydrate 1,1,1-trichloro-2,2-dihydroxyethane Noctec Somnote |
|
| id |
CHEBI:28142 |
|
| in_subset | ||
| inchi |
InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H |
|
| inchikey |
RNFNDJAIBTYOQL-UHFFFAOYSA-N |
|
| label |
chloral hydrate |
|
| mass |
165.40300 |
|
| monoisotopicmass |
163.91986 |
|
| notation |
CHEBI:28142 |
|
| prefLabel |
chloral hydrate |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38869 |
|
| smiles |
OC(O)C(Cl)(Cl)Cl |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_63733 |