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ChEBI
> Main
CHEBI:7931 - paricalcitol
Main
ChEBI Ontology
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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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Read full article at Wikipedia
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
paricalcitol (
CHEBI:7931
)
has functional parent
vitamin D
2
(
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
(1
R
,3
R
,7
E
)-
17β-
[(2
R
,3
E
,5
S
)-
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