CAS No.312-93-6,DEXAMETHASONE SODIUM PHOSPHATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	312-93-6
Name:	DEXAMETHASONE SODIUM PHOSPHATE
Article Data:	12

Formula:	C22H30 F O8 P
Molecular Weight:	472.448
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
Density:	1.45g/cm³
Boiling Point:	669.6°Cat760mmHg
Flash Point:	358.7°C
Hazard Symbols:	Xn
Risk Codes:	62
Safety:	An experimental teratogen. Other experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of F⁻ and PO_x.
PSA:	151.17000
LogP:	2.01270

Raw Materials

50-02-2

Total:37 Page 1 of 1 1

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Chemistry

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

Toxicity Data With Reference

dni-rat-ipr 3 mg/kg

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

Safety Profile

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

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)- .