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Hydrocortisone Impurity D Na Salt

CAT: 1596-AR-C03566-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03566-01Size:50 Units
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CAS Number
70795-33-4
Synonyms
Sodium 4- (2- ((8R,9S,10R,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) -2-oxoethoxy) -4-oxobutanoate;21- (3-Carboxy-1-oxopropoxy) -17-hydroxy-pregn-4-ene-3,20-dione Monosodium Salt
Molecular Formula
C25H33O7. Na
Molecular Weight
445.54 22.99
API Name
Cortisol

Chemical Information

CID 169435639
CAS Number70795-33-4
PubChem CID169435639
Molecular FormulaC25H34NaO7
Molecular Weight469.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity876
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C.[Na]
InChI
InChI=1S/C25H34O7.Na/c1-23-10-7-16(26)13-15(23)3-4-17-18(23)8-11-24(2)19(17)9-12-25(24,31)20(27)14-32-22(30)6-5-21(28)29;/h13,17-19,31H,3-12,14H2,1-2H3,(H,28,29);/t17-,18+,19+,23+,24+,25+;/m1./s1
InChIKey
RBIFCNQIHNLNNX-OWIXMUDHSA-N
Chemical Structure
2D Structure
2D structure of CID 169435639
CAS: 70795-33-4
CID: 169435639
Formula: C25H34NaO7
MW: 469.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight469.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass469.22022270
Monoisotopic Mass469.22022270
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes