Mibefradil

CAS Registry Number®

116644-53-2

CAS Name

Mibefradil

Molecular Formula

C29H38FN3O3

Molecular Mass

495.63

Cite this Page

Mibefradil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116644-53-2 (retrieved 2024-11-22) (CAS RN: 116644-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1

InChIKey

InChIKey=HBNPJJILLOYFJU-VMPREFPWSA-N

SMILES

C(CN(CCCC=1NC=2C(N1)=CC=CC2)C)[C@]3(OC(COC)=O)[C@@H]([C@@H](C)C)C=4C(CC3)=CC(F)=CC4

Canonical SMILES

O=C(OC1(CCC2=CC(F)=CC=C2C1C(C)C)CCN(C)CCCC3=NC=4C=CC=CC4N3)COC

Other Names for this Substance

  • Acetic acid, methoxy-, (1S,2S)-2-[2-[[3-(1H-benzimidazol-2-yl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester
  • Acetic acid, methoxy-, 2-[2-[[3-(1H-benzimidazol-2-yl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester, (1S-cis)-
  • (1S,2S)-2-[2-[[3-(2-Benzimidazolyl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphthyl methoxyacetate
  • Mibefradil
  • (1S,2S)-2-[2-[[3-(1H-Benzimidazol-2-yl)propyl]methylamino]ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration