1. Primary Information
| English name: | Bay 65-1942 (hydrochloride) |
| CAS No.: | 600734-06-3 |
| Molecular formula: | C22H26ClN3O4 |
| Molecular weight: | 431.9 g/mol |
| SMILES: | C1CC(CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O.Cl |
| Structural class: | |
| Other identifiers: |
7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-((3S)-3-piperidinyl)-1,4-dihydro-2H-pyrido(2,3-d)(1,3)oxazin-2-one hydrochloride |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97% | 3040 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 97% | 5440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-piperidin-3-yl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;hydrochloride
4.2 InChI
InChI=1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1
4.3 InChIKey
XZTOAEZYOFWVHB-PFEQFJNWSA-N
4.4 Canonical SMILES
C1CC(CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O.Cl
4.5 Isomeric SMILES
C1C[C@H](CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O.Cl
