CAS No.52438-85-4,Prednisolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52438-85-4
Name:	Prednisolone

Formula:	C₂₁H₂₈O₅
Molecular Weight:	360.44
Synonyms:	METACORT AND RALONE;METACORTANDROLONE;DEHYDROHYDROCORTISONE;HYDRODELTALONE;(8S,9S,10R,11S,13S,14S,17R)-11,17-DIHYDROXY-17-(2-HYDROXY-ACETYL)-10,13-DIMETHYL-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE;11BETA 17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE;11-BETA,17-ALPHA,21-HYDROXY-1,4-PREGNADIENE-3,20-DIONE;11BETA,17ALPHA,21-TRIHYDROXY-1,4-PREGNADIENE-3,20-DIONE
EINECS:	200-021-7
Density:	1.31 g/cm³
Melting Point:	240 °C (dec.)(lit.)
Boiling Point:	570.6 °C at 760 mmHg
Flash Point:	313 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	217.35000
LogP:	2.92230

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Specification

The Prednisolone, with the CAS registry number of 52438-85-4, is also known as Metacortandrolone. Its EINECS registry number is 200-021-7. This chemical's molecular formula is C₂₁H₂₈O₅ and molecular weight is 360.44. What's more, its systematic name is (8ξ,9ξ,11β,14ξ)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione. As a chemical, it is harmful if swallowed.

Physical properties about the Prednisolone are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8.06; (6)ACD/BCF (pH 7.4): 8.06; (7)ACD/KOC (pH 5.5): 154.96; (8)ACD/KOC (pH 7.4): 154.96; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 95.48 cm³; (15)Molar Volume: 274.7 cm³; (16)Surface Tension: 60.7 dyne/cm; (17)Density: 1.31 g/cm³; (18)Flash Point: 313 °C; (19)Enthalpy of Vaporization: 98.3 kJ/mol; (20)Boiling Point: 570.6 °C at 760 mmHg; (21)Vapour Pressure: 2.13E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1\C=C/[C@]4(/C(=C/1)CCC2C4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CCC23)C)C
(2) InChI: InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,16-,18?,19-,20-,21-/m0/s1
(3) InChIKey: OIGNJSKKLXVSLS-YDAVOWJHBO