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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | dexamethasone phosphate | |
| Synonyms |
Dexamethasone 21-orthophosphate Neodecadron Hexadrol phosphate Dexamethasone-21-dihydrogen-phosphate Betnelan phosphate (11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate |
|
| Definitions |
A steroid phosphate that is the 21-O-phospho derivative of dexamethasone. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68637 |
|
| alternative term |
Dexamethasone 21-orthophosphate Neodecadron Hexadrol phosphate Dexamethasone-21-dihydrogen-phosphate Betnelan phosphate (11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
CAS:312-93-6 Drug_Central:3920 PMID:22115712 PMID:20003498 PMID:19910302 PMID:21629568 PMID:20642832 Reaxys:2230371
|
|
| definition |
A steroid phosphate that is the 21-O-phospho derivative of dexamethasone.
|
|
| formula |
C22H30FO8P
|
|
| has_exact_synonym |
(11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
|
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Dexamethasone 21-orthophosphate Neodecadron Hexadrol phosphate Dexamethasone-21-dihydrogen-phosphate Betnelan phosphate
|
|
| id |
CHEBI:68637
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
|
|
| inchikey |
VQODGRNSFPNSQE-CXSFZGCWSA-N
|
|
| is_conjugate_acid_of | ||
| label |
dexamethasone phosphate
|
|
| mass |
472.44100
|
|
| monoisotopicmass |
472.16623
|
|
| notation |
CHEBI:68637
|
|
| prefLabel |
dexamethasone phosphate
|
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36838 http://purl.obolibrary.org/obo/CHEBI_36944 http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_50830 |
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