CAS Registry Number®
2240-28-0
CAS Name
Betamethasone 21-valerate
Molecular Formula
C27H37FO6
Molecular Mass
476.58
Other Names and Identifiers
InChI
InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
InChIKey=FEROCCAEIIKMJT-SUYDQAKGSA-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(CCCC)=O)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCC)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-[(1-oxopentyl)oxy]-, (11β,16β)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 21-valerate
- (11β,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
- Betamethasone 21-valerate
Deleted or Replaced CAS Registry Numbers
31261-42-4
