loading...| Preferred Name | chlorambucil | |
| Synonyms |
Leukeran gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid chloraminophen 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid Ambochlorin phenylbutyric acid nitrogen mustard 4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid Chlorambucil CHLORAMBUCIL 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid |
|
| Definitions |
A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28830 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:23521128 KEGG:D00266 Wikipedia:Chlorambucil PMID:22978684 DrugBank:DB00291 PMID:23233721 CAS:305-03-3 PDBeChem:CBL PMID:24223689 PMID:24147900 PMID:23295789 Reaxys:999011 PMID:23822827 Drug_Central:588 PMID:23725434 PMID:22025197 PMID:23667729 PMID:23665800 PMID:23683018 LINCS:LSM-2645 PMID:24098639 |
|
| definition |
A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. |
|
| formula |
C14H19Cl2NO2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_22333 |
|
| has_alternative_id |
CHEBI:3601 CHEBI:48770 CHEBI:25817 |
|
| has_exact_synonym |
Chlorambucil CHLORAMBUCIL 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Leukeran gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid chloraminophen 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid Ambochlorin phenylbutyric acid nitrogen mustard 4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid |
|
| id |
CHEBI:28830 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) |
|
| inchikey |
JCKYGMPEJWAADB-UHFFFAOYSA-N |
|
| label |
chlorambucil |
|
| mass |
304.21160 |
|
| monoisotopicmass |
303.07928 |
|
| notation |
CHEBI:28830 |
|
| prefLabel |
chlorambucil |
|
| smiles |
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_37598 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_37598 |