loading...| Preferred Name |
paricalcitol |
|
| Synonyms |
19-Nor-1alpha,25-dihydroxyvitamin D2 paricalcitol Zemplar Paricalcitol (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7931 |
|
| alternative label |
19-Nor-1alpha,25-dihydroxyvitamin D2 paricalcitol Zemplar Paricalcitol (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US5587497 Patent:EP387077 KEGG:C08127 CAS:131918-61-1 DrugBank:DB00910 KEGG:D00930 Drug_Central:2066 Wikipedia:Paricalcitol |
|
| formula |
C27H44O3 |
|
| has characteristic | ||
| has exact synonym |
Paricalcitol (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol |
|
| has functional parent | ||
| has role | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
19-Nor-1alpha,25-dihydroxyvitamin D2 paricalcitol Zemplar |
|
| id |
CHEBI:7931 |
|
| in_subset | ||
| inchi |
InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1 |
|
| inchikey |
BPKAHTKRCLCHEA-UBFJEZKGSA-N |
|
| label |
paricalcitol |
|
| mass |
416.63646 |
|
| monoisotopicmass |
416.32905 |
|
| notation |
CHEBI:7931 |
|
| preferred label |
paricalcitol |
|
| prefLabel |
paricalcitol |
|
| smiles |
[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O |
|
| subClassOf |