Basic information
- CAS
2265-64-7- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1- InChIKey
BQTXJHAJMDGOFI-NJLPOHDGSA-N- Molecular formula
- C28H32FNO6
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.2213659
Overview
Dexamethasone 21-(4-Pyridinecarboxylate) is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Dexamethasone Isonicotinate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,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] pyridine-4-carboxylate
- English name
- Dexamethasone Isonicotinate
- Molecular formula
- C28H32FNO6
- Molecular weight
- 497.56
Names & synonyms
DEXAMETHASONE ISONICOTINATE2265-64-7Dexamethasone 21-isonicotinateAUXISONEHE 111DTXSID3057690Dexamethasone 21-(4-Pyridinecarboxylate)8LGC0BOA71Isonicotinate, DexamethasoneDTXCID0031479Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((4-pyridinylcarbonyl)oxy)-, (11beta,16alpha)-RefChem:132370
Show more names
Auxiloson,21-isonicotinateDesoximetasone Impurity 16Dexamethasone isonicotinate CRSDexamethasone Isonicotinate impurity
HE1112-((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo(8.7.0.02,?.011,1?)heptadeca-3,6-dien-14-yl)-2-oxoethyl pyridine-4-carboxylate218-866-5VorenAuxilsonAuxilsoneAuxisondexamethasone-21-isonicotinate
Database identifiers
- CAS
2265-64-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,040
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 256 °C · 256°C
- Boiling point
- 676 · 676.0±55.0 °C(Predicted)
- Density
- 1.1972 · 1.1972 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Practically insoluble in water, slightly soluble in anhydrous ethanol and in acetone.
- pka
- 11.92 · 11.92±0.70(Predicted)
- FDA UNII
- 8 LGC0BOA71 · 8LGC0BOA71
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 373 · H373-H302+H312+H332
- Precautionary statements
- 260 · P260-P314-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDexamethasone isonicotinate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(4-pyridinylcarbonyl)oxy]-, (11.beta.,16.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesRepr. 1B (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H373-H302+H312+H332
- Precautionary statements
- P260-P314-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
Applications
UsesDexamethasone isonicotinate is an anti-inflammatory, anti-allergic glucocorticoid that can be administered orally, by inhalation, topically, and parenterally. Its unintended mineralocorticoid action may cause salt and water retention.
Suppliers40 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
武汉菲越生物科技有限公司027-87002654 15827563343 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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