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SEKYBDYVXDAYPY-UHFFFAOYSA-N manufacturers and suppliers on PharmaCompass

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  • Chemistry
16 Alpha Hydroxy prednisolone
Also known as: Dtxsid20930496, Mfcd00872019, Schembl13026137, N-a-fmoc-l-2,3-diaminopropionicacid, Akos015901714, Sy057544
Molecular Formula
C21H28O6
Molecular Weight
376.4  g/mol
InChI Key
SEKYBDYVXDAYPY-UHFFFAOYSA-N

1 2D Structure

16 Alpha Hydroxy prednisolone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
2.1.2 InChI
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3
2.1.3 InChI Key
SEKYBDYVXDAYPY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dtxsid20930496

2. Mfcd00872019

3. Schembl13026137

4. N-a-fmoc-l-2,3-diaminopropionicacid

5. Akos015901714

6. Sy057544

7. Ft-0675066

8. Budesonide Impurity A (16-alpha-hydroxy-prednisolone)

9. 11 Beta ,16 Alpha ,17 Alpha ,21-tetrahydroxypregna-1,4-diene-3,20-dione

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 376.4 g/mol
Molecular Formula C21H28O6
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass376.18858861 g/mol
Monoisotopic Mass376.18858861 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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