Compound Summary
Compound Information
NNC 55-0396 dihydrochloride
Compound Name: | NNC 55-0396 dihydrochloride |
Compound CID: | 22084904 |
Synonyms: | NNC 55-0396 dihydrochloride NNC 55-0396 357400-13-6 NNC-55-0396 UNII-0A7CE46ERM 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] cyclopropanecarboxylate;dihydrochloride |
InChI: | InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1 |
InChIKey: | BCCQNBXHUMKLFW-HNQRYHMESA-N |
Canonical Smiles: | CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)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)C5CC5)C=C(C=C2)F.Cl.Cl |
Molecular Weight: | 564.6 |
Molecular Formula: | C30H40Cl2FN3O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
NNC 55-0396 dihydrochloride
Molecular Weight: | 564.6 |
Molecular Formula: | C30H40Cl2FN3O2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 38 |
Complexity: | 746 |
Synonyms
NNC 55-0396 dihydrochloride
| NNC 55-0396 dihydrochloride | NNC 55-0396 dihydrochloride |
|---|---|
NNC 55-0396 dihydrochloride |
NNC 55-0396 |
357400-13-6 |
NNC-55-0396 |
UNII-0A7CE46ERM |
NNC 55-0396 HCl |
0A7CE46ERM |
CHEMBL4227475 |
357400-13-6 (HCl) |
(1S,2S)-2-(2-((3-(1H-Benzodimidazol-2-yl)propyl)(methyl)amino)ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl cyclopropanecarboxylate dihydrochloride |
(1S,2S)-2-2-3-(1H-BENZIMIDAZOL-2-YL)PROPYLMETHYLAMINOETHYL-6-FLUORO-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2-NAPHTHALENYL CYCLOPROPANECARBOXYLATE DIHYDROCHLORIDE |
NNC55-0396 |
C30H38FN3O2.2ClH |
SCHEMBL7630578 |
AOB5682 |
DTXSID301017615 |
(1S,2S)-2-2-3-(1H-benzimidazol-2-yl)propyl-methylaminoethyl-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl cyclopropanecarboxylate;dihydrochloride |
BCP13088 |
EX-A4525 |
3932AH |
BDBM50461301 |
AKOS024457020 |
CS-1240 |
Cyclopropanecarboxylic acid, (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, dihydrochloride |
Cyclopropanecarboxylic acid, (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, hydrochloride (1:2) |
HY-50722 |
D93437 |
Q27236533 |
Experimental Data
NNC 55-0396 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 | -26 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
NNC 55-0396 dihydrochloride
Statistics Data
NNC 55-0396 dihydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -26 | 1 | 1 |
Statistics Data Visualization
NNC 55-0396 dihydrochloride
