Trityl candesartan cilexetil

CAS Registry Number®

170791-09-0

CAS Name

Trityl candesartan cilexetil

Molecular Formula

C52H48N6O6

Molecular Mass

852.97

Cite this Page

Trityl candesartan cilexetil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=170791-09-0 (retrieved 2024-11-22) (CAS RN: 170791-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H48N6O6/c1-3-61-50-53-46-30-18-29-45(49(59)62-36(2)63-51(60)64-42-25-14-7-15-26-42)47(46)57(50)35-37-31-33-38(34-32-37)43-27-16-17-28-44(43)48-54-55-56-58(48)52(39-19-8-4-9-20-39,40-21-10-5-11-22-40)41-23-12-6-13-24-41/h4-6,8-13,16-24,27-34,36,42H,3,7,14-15,25-26,35H2,1-2H3

InChIKey

InChIKey=MOHQWFWIPOOTGV-UHFFFAOYSA-N

SMILES

C(N1C(=NN=N1)C2=C(C=CC=C2)C3=CC=C(CN4C=5C(N=C4OCC)=CC=CC5C(OC(OC(OC6CCCCC6)=O)C)=O)C=C3)(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Canonical SMILES

O=C(OC(OC(=O)C1=CC=CC=2N=C(OCC)N(C21)CC=3C=CC(=CC3)C=4C=CC=CC4C5=NN=NN5C(C=6C=CC=CC6)(C=7C=CC=CC7)C=8C=CC=CC8)C)OC9CCCCC9

Other Names for this Substance

  • 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
  • 2-Ethoxy-1-[(2′-(1-trityl-1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl)methyl]-7-benzimidazolecarboxylic acid 1-(cyclohexyloxycarbonyloxy)ethyl ester
  • Trityl candesartan cilexetil
  • N-Tritylcandesartan cilexetil
  • 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2′-(1-trityl-1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration