Dexamethasone 21-isonicotinate

CAS Registry Number®

2265-64-7
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CAS Name

Dexamethasone 21-isonicotinate

Molecular Formula

C28H32FNO6

Molecular Mass

497.56

Cite this Page

Dexamethasone 21-isonicotinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2265-64-7 (retrieved 2024-02-26) (CAS RN: 2265-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250-252 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1

InChIKey

InChIKey=BQTXJHAJMDGOFI-NJLPOHDGSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(=O)C=5C=CN=CC5)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C=5C=CN=CC5)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(4-pyridinylcarbonyl)oxy]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-isonicotinate
  • (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(4-pyridinylcarbonyl)oxy]pregna-1,4-diene-3,20-dione
  • Isonicotinic acid, 21-ester with 9-fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • HE 111

Deleted or Replaced CAS Registry Numbers

68402-70-0

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