| CAS Number | 2059913-86-7 |
| Catalog Number | AG01C02W |
| Chemical Name | (4R,6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-7-one |
| IUPAC Name | (6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one |
| InChI | InChI=1S/C11H13N3O2/c15-8-4-9-11(16)13-5-7-2-1-3-12-10(7)14(9)6-8/h1-3,8-9,15H,4-6H2,(H,13,16)/t8?,9-/m1/s1 |
| InChI Key | IYCZDGSUEPCKTP-YGPZHTELSA-N |
| MDL Number | MFCD30497792 |
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.2398 |
| SMILES | O[C@H]1CN2C3=C(CNC(=O)[C@H]2C1)C=CC=N3 |
| Synonyms | (4R,6R)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-trien-7-one,
2059913-86-7,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.244g/mol |
| Monoisotopic Mass | 219.101g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number