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| CAS No.: | 13649-88-2 |
|---|---|
| Name: | Deflazacort |
| Molecular Structure: | |
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| Formula: | C23H29NO4 |
| Molecular Weight: | 383.488 |
| Synonyms: | 5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione,11-hydroxy-2'-methyl-, (11b,16b)-; |
| EINECS: | 238-483-7 |
| Density: | 1.39 g/cm3 |
| Melting Point: | >250°C (dec.) |
| Boiling Point: | 544.2 °C at 760 mmHg |
| Flash Point: | 282.9 °C |
| PSA: | 75.96000 |
| LogP: | 2.45560 |
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The Deflazacort Intermediate is an organic compound with the formula C23H29NO4. The systematic name of this chemical is (4αR,4βS,5S,6αS,9αR,10αS,10βS)-6β-acetyl-5-hydroxy-4α,6α,8-trimethyl-4α,4β,5,6,6α,6β,9α,10,10α,10β,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one. With the CAS registry number 13649-88-2, it is also named as Deflazacort.
Physical properties about Deflazacort Intermediate are: (1)ACD/LogP: 1.06; (2)ACD/LogD (pH 5.5): 1.06; (3)ACD/LogD (pH 7.4): 1.06; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 75.96 Å2; (8)Index of Refraction: 1.675; (9)Molar Refractivity: 103.65 cm3; (10)Molar Volume: 275.7 cm3; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 282.9 °C; (14)Enthalpy of Vaporization: 94.59 kJ/mol; (15)Boiling Point: 544.2 °C at 760 mmHg; (16)Vapour Pressure: 4.13E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)C
(2)InChI: InChI=1/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23?/m0/s1
(3)InChIKey: WQUXBQVUVGNOKK-GAVMQNRMBM
(4)Std. InChI: InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23?/m0/s1
(5)Std. InChIKey: WQUXBQVUVGNOKK-GAVMQNRMSA-N
