CAS 33755-46-3 Dexamethasone Valerate (HCID 63047)

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Basic information

CAS: 33755-46-3
Standard SMILES: CCCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey: SNHRLVCMMWUAJD-OMPPIWKSSA-N
Molecular formula: C27H37FO6
Average molar mass: 476.6 g/mol
Monoisotopic mass: 476.25741706

Names & identifiers

Preferred name: Dexamethasone Valerate
IUPAC: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
English name: 9-Fluoro-11b,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17-valerate
Molecular formula: C27H37FO6
Molecular weight: 476.58

Names & synonyms

Dexamethasone valerate33755-46-3DV-17Dexamethasone 17-valerateDexamethasone valerate [JAN]DTXSID3022904EINECS 251-669-2OI7CP949NNVoalla ointment (TN)Dexamethasone valerate (JAN)DTXCID602904DEXAMETHASONE-17 VALERATE

Show more names

DV 17VoallaZalucsDXMvalerateDexamethasonevalerateDexamethasone-17-valerateDexamethasone Impurity 28Benzoyl Peroxide Impurity 8Betamethasone Valerate Impurity CBetamethasone valerate impurity 3

DEXAMETHASONE VALERATE [WHO-DD]Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 17-valerateBETAMETHASONE VALERATE IMPURITY C [EP IMPURITY]Voalla ointmentPREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.ALPHA.)-Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11.beta.,16.alpha.)-BETAMETHASONE VALERATE IMPURITY C (EP IMPURITY)RefChem:585857

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 957

Physicochemical properties

Melting point: 150 · 150-154°C
Boiling point: 598.853 · 598.853±50.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.1174 · 1.1174 (estimate)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 12.896 · 12.896±0.70(predicted)
color: White to Off-White
Stability: Hygroscopic
InChIKey: FEROCCAEIIKMJT-IWUXOMKENA-N
SMILES: [C@@]12([H])C[C@@H](C)[C@](O)(C(=O)COC(=O)CCCC)[C@@]1(C)C[C@H](O)[C@]1(F)[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H] |&1:0,3,5,17,20,22,24,34,r|
FDA UNII: 7 CP949NN · OI7CP949NN
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 361 · H361-H362-H373

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS08
Hazard statements: H361-H362-H373
Precautionary statements: P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501-P260-P314-P501

Chemistry & industry

Applications · 1 item

UsesDexamethasone Valerate (Betamethasone Valerate EP Impurity C) is an impurity of Dexamethasone (D298800), which is a glucocorticoid that is used as an anti-inflammatory agent. Dexamethasone regulates T cell survival, growth, and differentiation. Dexamethasone inhibits the induction of nitric oxide synthase.

Upstream & downstream products

Upstream raw materials

Betamethasone

Suppliers43 total

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海科骊科生物技术有限公司021-34975789 18721102763

Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]

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Dexamethasone Valerate