Basic information
- Name:
Pregn-4-ene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11b)-
- Superlist Name:
- Hydrocortisone 21-hemisuccinate
- CAS No.:
2203-97-6
- Molecular Structure:
- Formula:
- C25H34O8
- Molecular Weight:
- 462.53
- Synonyms:
- Cortisol,21-(hydrogen succinate) (8CI);Cortisol, hydrogen succinate (7CI);Cortisol21-hemisuccinate;Cortisol hemisuccinate;Cortisol succinate;Hydrocortisone21-(hydrogen succinate);Hydrocortisone 21-O-b-carbonylpropionic acid;Hydrocortisone 21-succinate;Hydrocortisone hemisuccinate;Hydrocortisone hydrogen succinate;Hydrocortisone succinate;NSC 7576;Saxizon;
- EINECS:
- 218-612-3
- Density:
- 1.33 g/cm3
- Boiling Point:
- 685.5 °C at 760 mmHg
- Flash Point:
- 231.1 °C
- Safety Description:
- 22-24/25 Details
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Specification
The Hydrocortisone 21-hemisuccinate with the cas number 2203-97-6, is also called 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-
cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid named by IUPAC. And It's system names are (1)Hydrocortisone 21-(hydrogen succinate); (2)Preg-4-ene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11-beta)-. It belongs to the following product categories: Steroids. It should be stored around -20°C to avoid becoming invalid. It is can be applied to anti-inflammatory agents when you are using this chemical, please avoid contact with skin and eyes and not to breathe dust.
Physical properties about Hydrocortisone 21-hemisuccinate are: (1)ACD/LogP: 2.13 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.89 ; (4)ACD/LogD (pH 7.4): -0.89 ; (5)ACD/BCF (pH 5.5): 1.42 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 20 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 8 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 9 ; (12)Polar Surface Area: 105.2 Å2 ; (13)Index of Refraction: 1.586 ; (14)Molar Refractivity: 116.06 cm3 ; (15)Molar Volume: 345.5 cm3 ; (16)Polarizability: 46.01 ×10-24cm3 ; (17)Surface Tension: 62.1 dyne/cm ; (18)Density: 1.33 g/cm3 ; (19)Flash Point: 231.1 °C ; (20)Enthalpy of Vaporization: 114.97 kJ/mol ; (21)Boiling Point: 685.5 °C at 760 mmHg ; (22)Vapour Pressure: 9.36E-22 mmHg at 25°C
You can still convert the following datas into molecular structure :
(1).SMILES: O=C(O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@@]3(/C(=C\C(=O)CC3)CC4)C
(2).InChI:InChI=1/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s