CHEBI:7931 - paricalcitol

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ChEBI Name paricalcitol
ChEBI ID CHEBI:7931
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.32905
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
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
Roles Classification
Biological Role(s): antiparathyroid drug
A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones.
Application(s): antiparathyroid drug
A drug used to treat hyperparathyroidism by reducing the excessive production of parathyroid hormones.
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ChEBI Ontology
Outgoing 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
paricalcitol KEGG DRUG
Synonyms Sources
19-Nor-1alpha,25-dihydroxyvitamin D2 KEGG COMPOUND
Paricalcitol KEGG COMPOUND
Brand Name Source
Zemplar DrugBank
Manual Xrefs Databases
2066 DrugCentral
C08127 KEGG COMPOUND
D00930 KEGG DRUG
DB00910 DrugBank
EP387077 Patent
Paricalcitol Wikipedia
US5587497 Patent
View more database links
Registry Numbers Types Sources
131918-61-1 CAS Registry Number KEGG COMPOUND
131918-61-1 CAS Registry Number ChemIDplus
Last Modified
22 February 2017