Hydrocortisone Sodium Phosphate - CAS 6000-74-4

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Catalog Number: R058698

CAS Number: 6000-74-4

PubChem Substance ID:355172838

Molecular Formula: C21H29Na2O8P

Molecular Weight:486.408

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsCortisol 21-Phosphate Disodium Salt; Cortisol, 21-(Dihydrogen Phosphate) Disodium Salt; (11β)-11,17-Dihydroxy-21-(phosphonooxy)pregn-4-ene-3,20-dione Disodium Salt; Cleiton; Cortisol Sodium Phosphate; Disodium hydrocortisone 21-Phosphate; Efcortesol;

Property

Molecular Formula: C21H29Na2O8P
Molecular Weight486.408
Purity≥95%
StorageStore at +4C

Computed Descriptor

IUPAC Namedisodium;[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-oxoethyl] phosphate
InChIInChI=1S/C21H31O8P.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;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1
InChIKeyRYJIRNNXCHOUTQ-OJJGEMKLSA-L
SMILESCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)([O-])[O-])O)C)O.[Na+].[Na+]