Betamethasone sodium phosphate
From DrugPedia: A Wikipedia for Drug discovery
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| + | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1023&show=SHOW-3D Show 3-D Structure] | ||
| + | {{Drugbox | ||
| + | | IUPAC_name =disodium[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate | ||
| + | | CAS_number = | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 123917 | ||
| + | | ChemSpiderID = | ||
| + | | chemical_formula =C<sub>2</sub><sub>2</sub>H<sub>2</sub><sub>8</sub>FNa<sub>2</sub>O<sub>8</sub>P | ||
| + | | molecular_weight = 516.4 | ||
| + | | smiles =CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] | ||
| + | | synonyms = Celestone | ||
| + | | density = | ||
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| + | | protein_bound = | ||
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| + | | pregnancy_category= | ||
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| + | }} | ||
==Description== | ==Description== | ||
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phosphate ester of betamethasone; RN given refers to the di-Na salt (11beta,16beta)-isomer; structure in Negwer,5th ed, 4975 | phosphate ester of betamethasone; RN given refers to the di-Na salt (11beta,16beta)-isomer; structure in Negwer,5th ed, 4975 | ||
==General Properties== | ==General Properties== | ||
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C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] | ||
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*[http://www.drugbank.ca/drugs/DB00443]Drugbank | *[http://www.drugbank.ca/drugs/DB00443]Drugbank | ||
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Current revision
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| Betamethasone sodium phosphate
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| Systematic (IUPAC) name | |
| disodium[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H28FNa2O8P |
| Mol. mass | 516.4 |
| SMILES | & |
| Synonyms | Celestone |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
phosphate ester of betamethasone; RN given refers to the di-Na salt (11beta,16beta)-isomer; structure in Negwer,5th ed, 4975
[edit] General Properties
*Molecular Weight
516.4
*Molecular Formula
C22H28FNa2O8P
*IUPAC NAME
disodium[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
*Canonical Smiles
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
*Isomeric Smiles
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
