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CHEBI:7931 - paricalcitol

ChEBI IDCHEBI:7931
ChEBI Nameparicalcitol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=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
InChIKeyBPKAHTKRCLCHEA-UBFJEZKGSA-N
Wikipedia
Roles Classification
Biological Role:
antiparathyroid drug  A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones.
Application:
antiparathyroid drug  A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones.
ChEBI Ontology
Outgoing Relation(s)
paricalcitol (CHEBI:7931) has functional parent vitamin D2 (CHEBI:28934)
paricalcitol (CHEBI:7931) has role antiparathyroid drug (CHEBI:50827)
paricalcitol (CHEBI:7931) is a hydroxy seco-steroid (CHEBI:36853)
paricalcitol (CHEBI:7931) is a seco-cholestane (CHEBI:36818)
IUPAC Name 
(1R,3R,7E)-17β-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
INN  Source
paricalcitolKEGG DRUG
Synonyms  Source
ParicalcitolKEGG COMPOUND
19-Nor-1alpha,25-dihydroxyvitamin D2KEGG COMPOUND
Brand Name  Source
ZemplarDrugBank
Manual XrefsDatabases
C08127KEGG COMPOUND
D00930KEGG DRUG
DB00910DrugBank
EP387077Patent
US5587497Patent
ParicalcitolWikipedia
2066DrugCentral
Registry NumbersSources
CAS:131918-61-1KEGG COMPOUND
CAS:131918-61-1ChemIDplus