CAS No.125-04-2,Pregn-4-ene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, sodium salt (1:1), (11b)- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	125-04-2
Name:	Pregn-4-ene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, sodium salt (1:1), (11b)-

Formula:	C₂₅H₃₃NaO₈
Molecular Weight:	502.59
Synonyms:	U 4905;Cortisol,21-(hydrogen succinate), monosodium salt (8CI);Cortisol, succinate, sodium salt (6CI);A-HydroCort;Buccalsone;Corlan;Cortisol hemisuccinate sodium salt;Cortisol sodium hemisuccinate;Cortisolsodium succinate;EF-Cortelan Soluble;Emi-Corlin;Flebocortid;Hydrocortisone21-hemisuccinate sodium salt;Hydrocortisone 21-succinate sodium salt;Hydrocortisone hemisuccinate sodium salt;Hydrocortisone sodiumsuccinate;Intracort;Nordicort;Oralsone;Sodium 17-hydroxycorticosterone 21-succinate;Sodium hydrocortisone 21-hemisuccinate;Solu-Cortef;Solu-Glyc;Hydrocortisone sodium succinate;
EINECS:	204-725-5
Density:	N/A
Melting Point:	169.0-171.2°
Boiling Point:	685.5 °C at 760 mmHg
Flash Point:	231.1 °C
Solubility:	H₂O: 50 mg/mL
Appearance:	N/A
Hazard Symbols:	N/A
Risk Codes:	N/A
Safety:
Transport Information:	N/A
PSA:	141.03000
LogP:	0.86260

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Specification

The Hydrocortisone sodium succinate, with the CAS registry number 125-04-2, is also known as 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione 21-hemisuccinate sodium salt. Its EINECS registry number is 204-725-5. This chemical's molecular formula is C₂₅H₃₃NaO₈ and molecular weight is 484.51449. Its IUPAC name is called sodium 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-oxobutanoate. This chemical which is used as a pharmaceutical intermediate should be stored at - 20 °C. This chemical's classification codes are Drug / Therapeutic Agent; Glucocorticoid; Human Data; Reproductive Effect.

Physical properties of Hydrocortisone sodium succinate are: (1)ACD/LogP: 2.13; (2)#H bond acceptors: 8; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 9; (5)Flash Point: 231.1 °C; (6)Enthalpy of Vaporization: 114.97 kJ/mol; (7)Boiling Point: 685.5 °C at 760 mmHg; (8)Vapour Pressure: 9.36E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[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.Na/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);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1
(3)InChIKey: HHZQLQREDATOBM-HVZBPSDKBG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	LDLo	intravenous	1429ug/kg (1.429mg/kg)	CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Medical Journal of Australia. Vol. 154, Pg. 782, 1991.
man	TDLo	intravenous	2857ug/kg (2.857mg/kg)	LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: OXIDANT RELATED (GPD DEFICIENT) ANEMIA	Medical Journal of Australia. Vol. 154, Pg. 210, 1991.
mouse	LD50	intraperitoneal	1050mg/kg (1050mg/kg)		Drugs in Japan Vol. 6, Pg. 625, 1982.
rat	LD50	intraperitoneal	1320mg/kg (1320mg/kg)		Drugs in Japan Vol. 6, Pg. 625, 1982.