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Substance Name: Prednisolone sesquihydrate
RN: 52438-85-4
UNII: 4937O9X01I
InChIKey: NYIMZAZFKYPKEY-IHLHFWPSSA-N

Molecular Formula

  • 2C21-H28-O5.3H2-O

Molecular Weight

  • 774.9388
 
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Names and Synonyms

Name of Substance

  • Prednisolone sesquihydrate

Synonyms

  • Prednisolone hydrate
  • Prednisolone sesquihydrate
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, hydrate (2:3), (11beta)-
  • UNII-4937O9X01I

Registry Numbers

CAS Registry Number

  • 52438-85-4

FDA UNII

  • 4937O9X01I

System Generated Number

  • 0052438854

Structure Descriptors

InChI

1S/2C21H28O5.3H2O/c2*1-19-7-5-13(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;;;/h2*5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;3*1H2/t2*14-,15-,16-,18+,19-,20-,21-;;;/m00.../s1

InChIKey

NYIMZAZFKYPKEY-IHLHFWPSSA-N

Smiles

O.O.O.C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO.C[C@]56C[C@H](O)[C@H]7[C@@H](CCC8=CC(=O)C=C[C@]78C)[C@@H]5CC[C@]6(O)C(=O)CO