CAS No.1106-03-2,16-Meprednisone acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1106-03-2
Name:	16-Meprednisone acetate

Formula:	C₂₄H₃₀O₆
Molecular Weight:	414.499
Synonyms:	Pregna-1,4-diene-3,11,20-trione,17,21-dihydroxy-16b-methyl-, 21-acetate (6CI,7CI,8CI);
EINECS:	214-167-4
Density:	1.26g/cm³
Boiling Point:	584.3 °C at 760 mmHg
Flash Point:	198.1 °C
PSA:	80.67000
LogP:	3.40360

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Specification

The 16-Meprednisone acetate, with cas registry number 1106-03-2, has the systematic name of (16β)-17-hydroxy-16-methyl-3,11,20-trioxopregna-1,4-dien-21-yl acetate. And its IUPAC name is [2-[(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3,
11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

Physical properties about this chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.52; (6)ACD/BCF (pH 7.4): 145.52; (7)ACD/KOC (pH 5.5): 1229.77; (8)ACD/KOC (pH 7.4): 1229.76; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 86.74 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 108.27 cm³; (15)Molar Volume: 328.2 cm³; (16)Polarizability: 42.92×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Enthalpy of Vaporization: 100.24 kJ/mol; (19)Vapour Pressure: 4.35E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4C(=O)C[C@@]23C)C
(2)InChI: InChI=1/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-18,21,29H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,21+,22-,23-,24-/m0/s1
(3)InChIKey: RZAMUHXEOMZXET-ABQXZQTJBA
(4)Std. InChI: InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-18,21,29H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,21+,22-,23-,24-/m0/s1
(5)Std. InChIKey: RZAMUHXEOMZXET-ABQXZQTJSA-N