Deflazacort (14484-47-0),Deflazacort (14484-47-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Deflazacort
CAS No.:
14484-47-0
Molecular Structure:
Formula:
C₂₅H₃₁NO₆
Molecular Weight:
441.52
Synonyms:
5H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2-methyl-, (11beta,16beta)-;Azacort;11beta,21-Dihydroxy-2-methyl-5betaH-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-acetate;5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20- dione,21-(acetyloxy)-11-hydroxy-2'-methyl-,(11a,16a)-;L-5458;DL-458-IT;Deflan;
EINECS:
238-483-7
Density:
1.41 g/cm³
Melting Point:
255-256.5 °C
Boiling Point:
595.4 °C at 760 mmHg
Flash Point:
313.9 °C

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Chemistry

Product Name: Deflazacort (CAS NO.14484-47-0)

Molecular Formula: C₂₅H₃₁NO₆
Molecular Weight: 441.52g/mol
Mol File: 14484-47-0.mol
EINECS: 238-483-7
Melting Point: 255-256.5°C
Boiling point: 595.4 °C at 760 mmHg
Flash Point: 313.9 °C
Density: 1.41 g/cm³
Surface Tension: 53 dyne/cm
Enthalpy of Vaporization: 101.82 kJ/mol
Vapour Pressure: 1.16E-16 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Deflazacort (CAS NO.14484-47-0):
Canonical SMILES: CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C
Isomeric SMILES: CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C
InChI: InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1
InChIKey: FBHSPRKOSMHSIF-GRMWVWQJSA-N
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals; Steroids

Uses

Deflazacort (CAS NO.14484-47-0) is a kind of Adrenal cortex hormones drugs and with anti-inflammatory and anti-allergic effect.

Production

Deflazacort (CAS NO.14484-47-0) is obtained from 5-pregnane-3β-ol-11,20-dione-2'-methyloxazoline by 2,4-dibromination with Br 2 -dioxane. Deflazacort is preferably obtained according to a fermentation process disclosed in EP-B-322630; in said patent, the compound of formula II is referred to as 11β, 21-dihydroxy-2'-methyl-5'βH-pregna-1,4-dieno [17,16-d] oxazolyn-3,20-dione.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	unreported	45mg/kg/2.5Y- (45mg/kg)	SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE	Clinical Nephrology. Vol. 47, Pg. 205, 1997.
mouse	LD50	oral	5200mg/kg (5200mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1543, 1980.

Specification

Deflazacort , its CAS NO. is 14484-47-0, the synonyms are 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-
dieno(17,16-d)oxazole-3,20-dione 21-acetate ; 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)- ; Azacort ; Calcort ; DL-458-IT ; Deflan ; Deflazacortum ; (11beta,16beta)-21-(Acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione ; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-, 21-acetate .