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paricalcitol

Go to external page http://purl.obolibrary.org/obo/CHEBI_7931

Term info

Label

paricalcitol

Synonyms
  • (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
  • Paricalcitol
database cross reference
Subsets

3_STAR

BRAND NAME
Zemplar [ DrugBank ]

IUPAC NAME
(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 [ IUPAC ]

INN
paricalcitol [ KEGG_DRUG ]

charge

0

formula

C27H44O3

has obo namespace

chebi_ontology

has related synonym

Zemplar, paricalcitol, 19-Nor-1alpha,25-dihydroxyvitamin D2

id

CHEBI:7931

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

mass

416.63646

monoisotopicmass

416.32905

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