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Meprednisone hemisuccinate

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Name

Meprednisone hemisuccinate

EINECS N/A
CAS No. 27303-92-0 Density 1.33
PSA 135.04000 LogP 2.42750
Solubility N/A Melting Point N/A
Formula C26H32O8 Boiling Point 692.3 °C at 760 mmHg
Molecular Weight 472.535 Flash Point 232.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27303-92-0 (Meprednisone hemisuccinate) Hazard Symbols N/A
Synonyms

Succinicacid, 21-monoester with 17,21-dihydroxy-16b-methylpregna-1,4-diene-3,11,20-trione (8CI);16b-Methyl-prednisone hemisuccinate;

 

Meprednisone hemisuccinate Specification

The Meprednisone hemisuccinate is a kind of pharmaceutical intermediates. With cas registry number of 27303-92-0, this chemical is also known as 16-Meprednisone hemisuccinate; 17,21-Dihydroxy-16b-methylpregna-1,4-diene-3,11,20-trione 21-(hydrogen succinate). Its systematic name is called 4-{[(16beta)-17-hydroxy-16-methyl-3,11,20-trioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.76; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)#H bond acceptors: 8; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 135.04 Å2; (8)Index of Refraction: 1.587; (9)Molar Refractivity: 119.18 cm3; (10)Molar Volume: 354.5 cm3; (11)Surface Tension: 59.8 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 232.5 °C; (14)Enthalpy of Vaporization: 116 kJ/mol; (15)Boiling Point: 692.3 °C at 760 mmHg; (16)Vapour Pressure: 3.54E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)COC(=O)CCC(=O)O)O)C)C;
(2)InChI:InChI=1/C26H32O8/c1-14-10-18-17-5-4-15-11-16(27)8-9-24(15,2)23(17)19(28)12-25(18,3)26(14,33)20(29)13-34-22(32)7-6-21(30)31/h8-9,11,14,17-18,23,33H,4-7,10,12-13H2,1-3H3,(H,30,31)/t14-,17-,18-,23+,24-,25-,26-/m0/s1;
(3)InChIKey:NSUOIXNBPZQTLB-JINKDHKVBO

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