Mibefradil

HCID 60663
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Basic information

CAS
116644-53-2
Standard SMILES
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
InChIKey
HBNPJJILLOYFJU-VMPREFPWSA-N
Molecular formula
C29H38FN3O3
Average molar mass
495.639 g/mol
Monoisotopic mass
495.2897203

Names & identifiers

Preferred name
Mibefradil
IUPAC
(1S,2S)-2-(2-{[3-(1H-Benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
English name
MIBEFRADIL DIHYDROCHLORIDE
Molecular formula
C29H38FN3O3
Molecular weight
495.63

Names & synonyms

C07222RO 40-5967MIBEFRADIL DIHYDROCHLORIDE(1S,2S)-2-[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-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate(1S,2S)-2-[2[[3-(2-BENZIMIDAZOLYLPROPYL]METHYLAMINO]ETHYL]-6-FLUORO-1,2,3,4-TETRAHYDRO-1-ISOPROPYL-2-NAPHTHYL METHOXYACETATE DIHYDROCHLORIDEMethoxyacetic acid [[(1S,2S)-2-[2-[[3-(1H-benzimidazol-2-yl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-isopropylnaphthalen]-2-yl] esterAcetic 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 esterAcetic acid, Methoxy-, 2-[2-[[3-(1H-benziMidazol-2-yl)propyl]MethylaMino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-Methylethyl)-2-naphthalenylester, (1S-cis)-(1S,2S)-2-[2-[[3-(1H-Benzimidazol-2yl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenylmethoxyacetoacetatedihydrochloride

Database identifiers

CAS
116644-53-2
PubChem CID
60663
DTXSID
DTXSID1023318
ChEMBL
CHEMBL45816
ChEBI
CHEBI:6920
UNII
27B90X776A
Nikkaji
J281.718G

Properties

Physicochemical properties

Melting point
125 · 125 - 130°C
Boiling point
647.6 · 647.6±55.0 °C(Predicted)
Density
1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.
Desiccate at RT
solubility
DMSO (Slightly), Methanol (Slightly)
pka
11.93 · 11.93±0.10(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesVasodilator.

UsesMibefradil dihydrochloride is selectively blocks Ca2+entry into cells by inhibiting T-type Ca2+channels.

Upstream & downstream products

Suppliers29 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

Additional notes

DefinitionChEBI: Mibefradil is a member of tetralins.

Related reactions

5 records
New reaction record

Compound notes

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