AG003TYD

125-02-0 | Prednisolone phosphate sodium

AG003TYD

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CAS Number	125-02-0
Catalog Number	AG003TYD(AGN-PC-0PHWXA)
Chemical Name	Prednisolone phosphate sodium
EC Number	204-722-9
IUPAC Name	disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
InChI	InChI=1S/C21H29O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
InChI Key	VJZLQIPZNBPASX-OJJGEMKLSA-L
MDL Number	MFCD00083682
Molecular Formula	C21H27Na2O8P
Molecular Weight	484.3876
SMILES	P(=O)(OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(C=C[C@@]4([C@H]3[C@H](C[C@]12C)O)C)=O)O)([O-])[O-].[Na+].[Na+]
UNII	IV021NXA9J
Synonyms	Pediapred, prednisolone 21-phosphate sodium, prednisolone phosphate, prednisolone phosphate sodium, prednisolone phosphate, monosodium salt, (11beta)-isomer, prednisolone phosphate, sodium salt, (11beta)-isomer, prednisolone sodium phosphate, Predsol, Prednisolone phosphate sodium, 125-02-0, prednisolone sodium phosphate, Disodium prednisolone 21-phosphate, Prednisolone 21-phosphate disodium, UNII-IV021NXA9J, Phortisolone, Prednisolone (disodium phosphate), IV021NXA9J, Hydeltrasol, Codelsol, Inflamase, Optival, Prednesol, Predsol, Predsolan, Prozorin, Solucort, Metreton, Predair, Inflamase Forte, Inflamase Mild, Predair Forte, Cortisate-20 (Veterinary), Sodium prednisolone phosphate, Prednisolone disodium phosphate, Vasocidin Solution, Millipred, EINECS 204-722-9, Veripred 20, disodium [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate, 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(disodium phosphate), Pediapred (TN), disodium;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate, Prednisolone sodium phosphate [USP:JAN], SCHEMBL23563, AC1L9B41, CHEMBL1201014, DTXSID2047480, BCP11881, HY-B0645, Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11beta)-, Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(dihydrogen phosphate), disodium salt, MFCD00083682, AKOS025310687, API0003920, AT-2935, CS-2878, Prednisolone 21-Phosphate Disodium Salt, Prednisolone sodium phosphate (JP17/USP), D3918, ST24049032, D00981, A805337, disodium [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate, Pediapred, Orapred, Optimyd, Okrido, Orapred ODT, C21H29O8P.2Na, Prednisolone 21-(disodium phosphate), C21-H29-O8-P.2Na, CID441409, CS-O-02137, Prednisolone Sodium Phosphate [USAN:JAN], Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11.beta.)-,

Complexity	878
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	484.124g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	484.392g/mol
Monoisotopic Mass	484.124g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	147A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H360
Packing Group	Ⅲ
Precautionary statements	P201-P280-P308+P313
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

Lot Number