Compound Summary
Compound Information
Mibefradil dihydrochloride
Compound Name: | Mibefradil dihydrochloride |
Compound CID: | 60662 |
Synonyms: | Mibefradil dihydrochloride 116666-63-8 Posicor Mibefradil (dihydrochloride) MIBEFRADIL 2HCL More... |
Iupac Name: | [(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;dihydrochloride |
InChI: | InChI=1S/C29H38FN3O3.2ClH/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);2*1H/t28-,29-;;/m0../s1 |
InChIKey: | MTJLQTFHJIHXIX-GDUXWEAWSA-N |
Canonical Smiles: | CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl |
Isomeric Smiles: | CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl |
Molecular Weight: | 568.5 |
Molecular Formula: | C29H40Cl2FN3O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Mibefradil dihydrochloride
Molecular Weight: | 568.5 |
Molecular Formula: | C29H40Cl2FN3O3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 38 |
Complexity: | 709 |
Synonyms
Mibefradil dihydrochloride
| Mibefradil dihydrochloride | Mibefradil dihydrochloride |
|---|---|
Mibefradil dihydrochloride |
116666-63-8 |
Posicor |
Mibefradil (dihydrochloride) |
MIBEFRADIL 2HCL |
UNII-842TUP3PQ8 |
Mibefradil HCl |
Mibefradil dihydrochloride USAN |
RO 40-5967/001 |
842TUP3PQ8 |
NCGC00094089-01 |
DSSTox_CID_24204 |
DSSTox_RID_80117 |
DSSTox_GSID_44204 |
(1S,2S)-2-2-3-(1H-benzimidazol-2-yl)propyl-methylaminoethyl-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl 2-methoxyacetate;dihydrochloride |
Mibefradil hydrochloride |
Mibefradil dihydrochloride (USAN) |
(1S,2S)-2-(2-{3-(1H-1,3-benzodiazol-2-yl)propyl(methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate dihydrochloride |
CAS-116666-63-8 |
C29H38FN3O3.2ClH |
Posicor (TN) |
Cerate 50 |
Mibefradil-dihydrochloride |
(1S,2S)-(2-((3-(2-Benzimidazolyl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphthyl methoxyacetate, dihydrochloride |
SCHEMBL120810 |
CHEMBL1534525 |
DTXSID8044204 |
AOB31771 |
BCP15607 |
EX-A2252 |
Tox21_111244 |
Tox21_500748 |
3848AH |
FD5011 |
HY-15553A |
MFCD00881804 |
AKOS017343957 |
Tox21_111244_1 |
CCG-222052 |
CS-1189 |
LP00748 |
VA11293 |
NCGC00161420-06 |
NCGC00261433-01 |
Ro-40-5967 |
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, dihydrochloride, (1S-cis)- |
AS-75317 |
Mibefradil dihydrochloride; Ro 40-5967 |
EU-0100748 |
Ro-40-5967/001 |
D05024 |
M 5441 |
SR-01000075997 |
J-003469 |
SR-01000075997-1 |
Q27269476 |
Ro 40-5967 (dihydrochloride)Ro 40-5967 (dihydrochloride) |
(1S,2S)-2-(2-((3-(1H-benzodimidazol-2-yl)propyl)(methyl)amino)ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate dihydrochloride |
(1S,2S)-2-2-3-(1H-Benzimidazol-2yl)propylmethylaminoethyl-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl methoxyacetoacetate dihydrochloride |
(1S,2S)-2-2-3-(1H-benzimidazol-2-yl)propyl-methyl-aminoethyl-6-fluoro-1-isopropyl-tetralin-2-yl 2-methoxyacetate dihydrochloride |
(1S,2S)-2-2-3-(1H-Benzimidazol-2-yl)propyl-methylaminoethyl-6-fluoro-1-isopropyl-tetralin-2-yl 2-methoxyacetate dihydrochloride |
Acetic acid,2-methoxy-,(1S,2S)-2-2-3-(1H-benzimidazol-2-yl)propylmethylaminoethyl-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenylester, hydrochloride (1:2) |
Ro 40-5967; (1S,2S)-2-23-(2-benzimidazolylpropylmethylaminoethyl-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphthyl methoxyacetate dihydrochloride |
Experimental Data
Mibefradil dihydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -4 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Mibefradil dihydrochloride
Statistics Data
Mibefradil dihydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4 | 1 | 1 |
Statistics Data Visualization
Mibefradil dihydrochloride
