1. Primary Information
| English name: | (5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrate;dihydrochloride |
| CAS No.: | 153504-70-2 |
| Molecular formula: | C20H38Cl2N2O3S2 |
| Molecular weight: | 489.6 g/mol |
| SMILES: | CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl |
| Structural class: | |
| Other identifiers: |
2-methyspiro(1,3-oxathiolane-5,3)quinuclidine AF 102B AF 102B, (cis-(+))-isomer AF 102B, (trans)-isomer AF-102B |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 432 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 640 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 2240 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrate;dihydrochloride
4.2 InChI
InChI=1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8?,10-;;;/m11.../s1
4.3 InChIKey
ZSTLCHCDLIUXJE-MMPAUJBDSA-N
4.4 Canonical SMILES
CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl
4.5 Isomeric SMILES
CC1O[C@]2(CN3CCC2CC3)CS1.CC1O[C@]2(CN3CCC2CC3)CS1.O.Cl.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
