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.
Applications:
antiparathyroid drug  A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
hypoglycemic agent  A drug which lowers the blood glucose level.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
nephroprotective agent  Any protective agent that is able to prevent damage to the kidney.
ChEBI Ontology
Outgoing Relation(s)
paricalcitol (CHEBI:7931) has functional parent vitamin D2 (CHEBI:28934)
paricalcitol (CHEBI:7931) has role antineoplastic agent (CHEBI:35610)
paricalcitol (CHEBI:7931) has role antiparathyroid drug (CHEBI:50827)
paricalcitol (CHEBI:7931) has role hypoglycemic agent (CHEBI:35526)
paricalcitol (CHEBI:7931) has role nephroprotective agent (CHEBI:76595)
paricalcitol (CHEBI:7931) has role renoprotective agent (CHEBI:231911)
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
19-Nor-1alpha,25-dihydroxyvitamin D2KEGG COMPOUND
COMPOUND 49510ChEMBL
COMPOUND-49510ChEMBL
ParicalcitolKEGG COMPOUND
Brand Name  Source
ZemplarDrugBank
Manual XrefsDatabases
2066DrugCentral
C08127KEGG COMPOUND
D00930KEGG DRUG
DB00910DrugBank
EP387077Patent
ParicalcitolWikipedia
US5587497Patent
Registry NumbersSources
CAS:131918-61-1KEGG COMPOUND
CAS:131918-61-1ChemIDplus
Citations