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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_28830
http://purl.obolibrary.org/obo/CHEBI_28830
|
|---|---|
| Preferred Name | chlorambucil |
| 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.
|
| Synonyms |
N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid
gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid
phenylbutyric acid nitrogen mustard
chloraminophen
4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid
Ambochlorin
4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid
Leukeran
CHLORAMBUCIL
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
Chlorambucil
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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. |
|---|---|
| label |
chlorambucil
|
| prefLabel |
chlorambucil
|
| database_cross_reference |
PMID:23667729
PMID:23683018
PMID:23521128
PMID:24098639
PMID:23725434
PMID:23295789
PMID:23233721
PMID:24147900
PMID:22978684
LINCS:LSM-2645
PMID:22025197
Reaxys:999011
PMID:23822827
Wikipedia:Chlorambucil
KEGG:D00266
PMID:23665800
CAS:305-03-3
PDBeChem:CBL
DrugBank:DB00291
PMID:24223689
Drug_Central:588
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|
| notation |
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)
|
| has_related_synonym |
N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid
gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid
phenylbutyric acid nitrogen mustard
chloraminophen
4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid
Ambochlorin
4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid
Leukeran
See more
See less
|
| id |
CHEBI:28830
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C14H19Cl2NO2
|
| subClassOf | |
| inchikey |
JCKYGMPEJWAADB-UHFFFAOYSA-N
|
| mass |
304.21160
|
| monoisotopicmass |
303.07928
|
| has_alternative_id |
CHEBI:48770
CHEBI:25817
CHEBI:3601
|
| type | |
| smiles |
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
|
| has_RxCUI |
2346
|
| has role | |
| has_exact_synonym |
CHLORAMBUCIL
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
Chlorambucil
|
| has characteristic | |
| alternative label |
N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid
gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid
phenylbutyric acid nitrogen mustard
chloraminophen
4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid
Ambochlorin
4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid
Leukeran
CHLORAMBUCIL
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
Chlorambucil
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|
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