Molecular Identity
Mibefradil
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate
PubChem CID: 60663
Mibefradil is a member of tetralins. It has a role as a T-type calcium channel blocker.
2D Structure
Properties
C29H38FN3O3
Molecular Formula
495.60
Molecular Weight
g/mol
495.2897
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
67.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
709
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)FIsomeric SMILES
SMILES: CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)FSynonyms(20)
Mibefradil116644-53-2[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate27B90X776ARo 405967Ro 40 5967DTXSID1023318Acetic 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-((3-(2-benzimidazolyl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphthyl methoxyacetate[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] 2-methoxyacetatemibefradilum((1S,2S)-2-(2-(3-(1H-benzimidazol-2-yl)propyl-methyl-amino)ethyl)-6-fluoro-1-isopropyl-tetralin-2-yl) 2-methoxyacetate((1S,2S)-2-(2-(3-(1H-benzimidazol-2-yl)propyl-methylamino)ethyl)-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl) 2-methoxyacetatePosicor 50Posicor 100
Data from PubChem (NCBI)
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Trials and conditions connected to Mibefradil
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