loading...| Preferred Name |
Doxercalciferol |
|
| Synonyms |
(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol 1alpha-hydroxyergocalciferol doxercalciferol doxercalciferolum 1alpha-hydroxyvitamin D2 Hectorol |
|
| Definitions |
A hydroxy seco-steroid and synthetic vitamin D2 analogue that undergoes metabolic activation in vivo to form 1alpha,25-dihydroxyvitamin D2 (1alpha,25-(OH)2D2), a naturally occurring, biologically active form of vitamin D2. It is used to treat secondary hyperparathyroidism, a condition in which the body produces excess parathyroid hormone (PTH; a natural substance needed to control the amount of calcium in the blood) in certain people with chronic kidney disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4712 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:28586017 KEGG:C08211 DrugBank:DB06410 PMID:25774916 PMID:17603751 PMID:22123370 PMID:21155068 Wikipedia:Doxercalciferol Drug_Central:957 KEGG:D01009 PMID:12227689 PMID:21849802 CAS:54573-75-0 PMID:12834181 PMID:23780943 PDBeChem:V2H |
|
| definition |
A hydroxy seco-steroid and synthetic vitamin D2 analogue that undergoes metabolic activation in vivo to form 1alpha,25-dihydroxyvitamin D2 (1alpha,25-(OH)2D2), a naturally occurring, biologically active form of vitamin D2. It is used to treat secondary hyperparathyroidism, a condition in which the body produces excess parathyroid hormone (PTH; a natural substance needed to control the amount of calcium in the blood) in certain people with chronic kidney disease. |
|
| formula |
C28H44O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50646 |
|
| has_exact_synonym |
(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1alpha-hydroxyergocalciferol doxercalciferol doxercalciferolum 1alpha-hydroxyvitamin D2 Hectorol |
|
| has_RxCUI |
11516 |
|
| id |
CHEBI:4712 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1 |
|
| inchikey |
HKXBNHCUPKIYDM-CGMHZMFXSA-N |
|
| label |
Doxercalciferol doxercalciferol |
|
| mass |
412.649 |
|
| monoisotopicmass |
412.33413 |
|
| notation |
CHEBI:4712 |
|
| prefLabel |
Doxercalciferol |
|
| smiles |
C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)/C=C/[C@@H](C(C)C)C)[H])[H])C |
|
| subClassOf |