| CAS Number | 1517549-00-6 |
| Catalog Number | AG019ET2(AGN-PC-0WG4HR) |
| Chemical Name | 3-(4-Methoxybenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione hydrochloride |
| IUPAC Name | 3-[(4-methoxyphenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride |
| InChI | InChI=1S/C15H19N3O3.ClH/c1-21-12-5-3-11(4-6-12)9-18-13(19)15(17-14(18)20)7-2-8-16-10-15;/h3-6,16H,2,7-10H2,1H3,(H,17,20);1H |
| InChI Key | ITHFEHBSKBWROT-UHFFFAOYSA-N |
| MDL Number | MFCD28992162 |
| Molecular Formula | C15H20ClN3O3 |
| Molecular Weight | 325.7906 |
| SMILES | Cl.COc1ccc(CN2C(=O)NC3(CCCNC3)C2=O)cc1 |
| Synonyms | 1517549-00-6,
3-(4-Methoxybenzyl)-1,3,7-triazaspiro[4.5]decane-2,4-dione hydrochloride,
CS-0037629,
1,3,7-Triazaspiro[4.5]Decane-2,4-Dione, 3-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1),
1,3,7-Triazaspiro[4.5]Decane-2,4-Dione, 3-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)(WX102214),
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| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.793g/mol |
| Monoisotopic Mass | 325.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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