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Hydrocortisone sodium phosphate

CAT: 0024-sc-353623Size: 1 gDry Ice: NoHazardous: No
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CAS Number
6000-74-4

Chemical Information

Hydrocortisone Sodium Phosphate

Cortisol sodium phosphate is an organic sodium salt that is the disodium salt of cortisol phosphate. It contains a cortisol phosphate(2-).

CAS Number6000-74-4
PubChem CID441406
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
Molecular FormulaC21H29Na2O8P
Molecular Weight486.4
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity836
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)([O-])[O-])O)C)O.[Na+].[Na+]
InChI
InChI=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
InChIKey
RYJIRNNXCHOUTQ-OJJGEMKLSA-L
Chemical Structure
2D Structure
2D structure of Hydrocortisone Sodium Phosphate
CAS: 6000-74-4
CID: 441406
Formula: C21H29Na2O8P
MW: 486.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass486.13954344
Monoisotopic Mass486.13954344
Topological Polar Surface Area147 Ų
Heavy Atom Count32
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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279756-01Hydrocortisone sodium phosphate
MBS5805902Hydrocortisone phosphate sodium
HY-105656-01Hydrocortisone phosphate (sodium)
HY-B1155Hydrocortisone phosphate
452024-01Hydrocortisone Phosphate Triethylamine
AR-C08314-01Hydrocortisone 17-phosphate
C01132-100mgHydrocortisone sodium succinate
IBA76703-01Hydrocortisone sodium sulfobenzoate
FH23889-01Hydrocortisone hemisuccinate sodium
HY-B1402B-01Hydrocortisone hemisuccinate (sodium)

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