Calcipotriol-betamethasone dipropionate

CAS Registry Number®

485805-18-3

CAS Name

Calcipotriol-betamethasone dipropionate

Molecular Formula

C28H37FO7.C27H40O3

Cite this Page

Calcipotriol-betamethasone dipropionate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=485805-18-3 (retrieved 2024-11-22) (CAS RN: 485805-18-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H37FO7.C27H40O3/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5;1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3;6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b;13-6+,19-7+,21-10-/t16-,19-,20-,21-,25-,26-,27-,28-;17-,22-,23-,24+,25-,26+,27-/m01/s1

InChIKey

InChIKey=CNXNMLQATFFYLX-ICTDYHGOSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])[H].C(COC(CC)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C32F)C.OC(C=CC(C)C1CCC2C(=CC=C3C(=C)C(O)CC(O)C3)CCCC21C)C4CC4

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-, mixt. with (1α,3β,5Z,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
  • Dovobet
  • Daivobet
  • Taclonex
  • Xamiol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration