loading...| Preferred Name |
Benztropine |
|
| Synonyms |
Benzatropine (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane benzatropina InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ benzatropine benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether benzatropinum tropine benzohydryl ether 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane [H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1 InChIKey=GIJXKZJWITVLHI-PMOLBWCYSA-N 3alpha-(diphenylmethoxy)tropane Benztropine 3alpha-(diphenylmethoxy)-1alphaH,5alphaH-tropane 3endo-benzhydryloxytropane C21H25NO |
|
| Definitions |
Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3048 |
|
| charge |
0 |
|
| chemical has protein target as antagonist | ||
| chemical inhibits protein |
http://purl.obolibrary.org/obo/PR_P23975 |
|
| database_cross_reference |
ChEMBL:661238 Patent:US2595405 ChemIDplus:86-13-5 KEGG COMPOUND:C06846 Beilstein:90688 Drug_Central:333 Wikipedia:Benzatropine CAS:86-13-5 NIST Chemistry WebBook:86-13-5 DrugBank:DB00245 KEGG DRUG:D07511 KEGG:D07511 KEGG:C06846 KEGG COMPOUND:86-13-5 |
|
| definition source | ||
| formula |
C21H25NO |
|
| has exact synonym |
Benzatropine (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_66956 http://purl.obolibrary.org/obo/CHEBI_48876 http://purl.obolibrary.org/obo/CHEBI_50370 |
|
| has_alternative_id |
CHEBI:661238 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
benzatropina InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ benzatropine benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether benzatropinum tropine benzohydryl ether 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane [H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1 InChIKey=GIJXKZJWITVLHI-PMOLBWCYSA-N 3alpha-(diphenylmethoxy)tropane Benztropine 3alpha-(diphenylmethoxy)-1alphaH,5alphaH-tropane 3endo-benzhydryloxytropane C21H25NO |
|
| has_RxCUI |
1424 |
|
| id |
CHEBI:3048 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ |
|
| inchikey |
GIJXKZJWITVLHI-PMOLBWCYSA-N |
|
| label |
benzatropine Benztropine |
|
| mass |
307.42930 |
|
| monoisotopicmass |
307.19361 |
|
| notation |
CHEBI:3048 |
|
| prefLabel |
Benztropine |
|
| smiles |
[H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1 |
|
| textual definition |
Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. |
|
| subClassOf |
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