(11β,16α)-16,17-[Butylidene-1,2,2,3,3,4,4,4-d8-bis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

1105542-94-6

CAS Name

(11β,16α)-16,17-[Butylidene-1,2,2,3,3,4,4,4-d8-bis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C25H26D8O6

Molecular Mass

438.58

Cite this Page

(11β,16α)-16,17-[Butylidene-1,2,2,3,3,4,4,4-d8-bis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1105542-94-6 (retrieved 2025-03-30) (CAS RN: 1105542-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1/i1D3,4D2,5D2,21D

InChIKey

InChIKey=VOVIALXJUBGFJZ-SMANYZGRSA-N

SMILES

C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])(O2)[2H])[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32)CCC)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 16,17-[butylidene-1,2,2,3,3,4,4,4-d8-bis(oxy)]-11,21-dihydroxy-, (11β,16α)-
  • (11β,16α)-16,17-[Butylidene-1,2,2,3,3,4,4,4-d8-bis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione
  • 2H8-Budesonide
  • [D8]-Budesonide

CAS INSIGHTSTM
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