loading...| Preferred Name |
alclometasone |
|
| Synonyms |
(7alpha,11beta,16alpha)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 7alpha-Chloro-16alpha-methylprednisolone alclometasone Aclometasone |
|
| Definitions |
A prednisolone compound having an alpha-chloro substituent at the 7-position and an alpha-methyl substituent at the 16-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53776 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D07116 CAS:67452-97-5 DrugBank:DB00240 Patent:US4124707 Patent:US4076708 Beilstein:6439798 Wikipedia:Alclometasone |
|
| definition |
A prednisolone compound having an alpha-chloro substituent at the 7-position and an alpha-methyl substituent at the 16-position. |
|
| formula |
C22H29ClO5 |
|
| has_exact_synonym |
(7alpha,11beta,16alpha)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
7alpha-Chloro-16alpha-methylprednisolone alclometasone Aclometasone |
|
| id |
CHEBI:53776 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1 |
|
| inchikey |
FJXOGVLKCZQRDN-PHCHRAKRSA-N |
|
| label |
alclometasone |
|
| mass |
408.91600 |
|
| monoisotopicmass |
408.17035 |
|
| notation |
CHEBI:53776 |
|
| prefLabel |
alclometasone |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139590 http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_77175 http://purl.obolibrary.org/obo/CHEBI_36885 http://purl.obolibrary.org/obo/CHEBI_24261 http://purl.obolibrary.org/obo/CHEBI_77166 http://purl.obolibrary.org/obo/CHEBI_35344 |