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Betnelan phosphate

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Name

Betnelan phosphate

EINECS N/A
CAS No. 312-93-6 Density 1.45g/cm3
PSA 151.17000 LogP 2.01270
Solubility N/A Melting Point N/A
Formula C22H30 F O8 P Boiling Point 669.6°Cat760mmHg
Molecular Weight 472.448 Flash Point 358.7°C
Transport Information N/A Appearance N/A
Safety An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of F and POx. Risk Codes 62
Molecular Structure Molecular Structure of 312-93-6 (DEXAMETHASONE SODIUM PHOSPHATE) Hazard Symbols Xn
Synonyms

Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogenphosphate) (8CI); Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-phosphate (6CI);Betnelan phosphate; Dexamethasone 21-dihydrogen phosphate; Dexamethasone21-phosphate; Dexamethasone orthophosphate; Dexamethasone phosphate; Wymesone

Article Data 12

Betnelan phosphate Chemical Properties

Molecular Formula: C22H30FO8P
Molar mass: 472.440 g/mol
EINECS: 206-232-0
Density: 1.45 g/cm3
Flash Point: 358.7 °C
Index of Refraction: 1.594
Boiling Point: 669.6 °C at 760 mmHg
Vapour Pressure: 8.62E-21 mmHg at 25°C
Product categories of Betnelan phosphate (312-93-6): Organics
Structure of Betnelan phosphate (312-93-6):

XLogP3-AA: 0.1
H-Bond Donor: 4
H-Bond Acceptor: 9
Systematic Name: [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-oxo-ethyl] dihydrogen phosphate 
SMILES: O=P(O)(O)OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C 
InChI: InChI=1/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-CXSFZGCWBG 
Std. 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 
Std. InChIKey: VQODGRNSFPNSQE-CXSFZGCWSA-N

Betnelan phosphate Toxicity Data With Reference

1.    

dni-rat-ipr 3 mg/kg

    JOENAK    Journal of Endocrinology. 62 (1974),527.

Betnelan phosphate Safety Profile

An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of F and POx.

Betnelan phosphate Specification

 Betnelan phosphate (312-93-6) also can be called Dexamethasone 21-phosphate ; Dexamethasone 21-orthophosphate ; Hexadrol phosphate ; (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate ;and Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (11beta,16alpha)- .

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