| CAS Number | 162227-13-6 |
| Catalog Number | AG001SW8(AGN-PC-0Q86UU) |
| Chemical Name | Hydroxy Terbinafine |
| IUPAC Name | (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-yn-1-ol |
| InChI | InChI=1S/C21H25NO/c1-21(2,17-23)14-7-4-8-15-22(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,23H,15-17H2,1-3H3/b8-4+ |
| InChI Key | GPEJUKJZTGFNKY-XBXARRHUSA-N |
| MDL Number | MFCD09840779 |
| Molecular Formula | C21H25NO |
| Molecular Weight | 307.4293 |
| SMILES | CN(CC=CC#CC(C)(C)CO)Cc1cccc2ccccc12 |
| Synonyms | Hydroxy Terbinafine,
Hydroxyterbinafine,
162227-13-6,
SCHEMBL3256599,
SCHEMBL3256605,
ZINC22061237,
ACM162227136,
RT-013280,
SF-280-022,
J-009906,
(5E)-2,2-Dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-5-hepten-3-yn-1-ol,
5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-, (5E)-,
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| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 307.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.437g/mol |
| Monoisotopic Mass | 307.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number