| CAS Number | 700878-19-9 |
| Catalog Number | AG003UHW(AGN-PC-0WAFN9) |
| Chemical Name | TCN 237 dihydrochloride |
| IUPAC Name | 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol;dihydrochloride |
| InChI | InChI=1S/C20H22FN3O.2ClH/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20;;/h1-6,12,14,25H,7-11,13H2,(H,22,23);2*1H |
| InChI Key | JYUWGWCFJMDMND-UHFFFAOYSA-N |
| MDL Number | MFCD22683802 |
| Molecular Formula | C20H24Cl2FN3O |
| Molecular Weight | 412.3285 |
| SMILES | Oc1ccc2c(c1)nc([nH]2)CN1CCC(CC1)Cc1ccccc1F.Cl.Cl |
| Synonyms | TCN 237 dihydrochloride,
700878-19-9,
KS-000000AI,
AKOS024457964,
AKOS028109736,
2-[[4-[(2-Fluorophenyl)methyl]-1-piperidinyl]methyl]-1H-benzimidazol-6-ol dihydrochloride,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.33g/mol |
| Monoisotopic Mass | 411.128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number