loading...| Preferred Name |
vismodegib |
|
| Synonyms |
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide vismodegibum Erivedge vismodegib |
|
| Definitions |
A benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66903 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22788238 PMID:22679179 PMID:22670904 PMID:22670903 PMID:22489352 PMID:22777303 Drug_Central:4227 CAS:879085-55-9 PMID:22653209 Wikipedia:Vismodegib PMID:22805146 PMID:21753154 PMID:21602311 Reaxys:12532124 PMID:22844657 PMID:22718857 PMID:22618984 PMID:21610148 PMID:22458643 |
|
| definition |
A benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma. |
|
| formula |
C19H14Cl2N2O3S |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50905 http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
vismodegibum Erivedge vismodegib |
|
| has_RxCUI |
1242987 |
|
| id |
CHEBI:66903 |
|
| in_subset | ||
| inchi |
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) |
|
| inchikey |
BPQMGSKTAYIVFO-UHFFFAOYSA-N |
|
| label |
vismodegib |
|
| mass |
421.29700 |
|
| monoisotopicmass |
420.01022 |
|
| notation |
CHEBI:66903 |
|
| prefLabel |
vismodegib |
|
| smiles |
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_83403 |