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Cortisol-1,2-d2 (Standard)

CAT: 0804-HY-W752582RSize: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-W752582RSize:Inquire
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79037-25-5
UNSPSC Description
Cortisol-1,2-d2 (Standard) is the analytical standard of Cortisol-1,2-d2. This product is intended for research and analytical applications. Cortisol-1,2-d2 is the deuterium labeled Cortisol[1].
Target Antigen
Bacterial; Isotope-Labeled Compounds
Type
Reference Standards
Related Pathways
Anti-infection;Others
Field of Research
Others
Smiles
C[C@@]12[C@](O)(CC[C@]1([C@@]([H])([C@]([H])([C@H](C2)O)[C@@]3(C)[C@H]([C@H]4[2H])[2H])CCC3=CC4=O)[H])C(CO)=O
Molecular Weight
364.47
References & Citations
[1]Russak, et sl. Impact of deuterium substitution on the pharmacokinetics of pharmaceuticals. Annals of Pharmacotherapy 53.2 (2019): 211-262.
Shipping Conditions
Room temperature

Chemical Information

Cortisol-d2
CAS Number79037-25-5
PubChem CID90476173
IUPAC Name(8S,9S,10R,11S,13S,14S,17S)-1,2-dideuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H30O5
Molecular Weight364.5
XLogP1.6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity684
SMILES
[2H]C1C([C@@]2([C@@H]3[C@@H](CCC2=CC1=O)[C@@H]4CC[C@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)C)[2H]
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1/i5D,7D/t5?,7?,14-,15-,16-,18+,19-,20-,21+
InChIKey
JYGXADMDTFJGBT-ZSRARYMKSA-N
Chemical Structure
2D Structure
2D structure of Cortisol-d2
CAS: 79037-25-5
CID: 90476173
Formula: C21H30O5
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass364.22187755
Monoisotopic Mass364.22187755
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity684
Isotope Atom Count2
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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