1. Primary Information
| English name: | Celgosivir hydrochloride |
| CAS No.: | 141117-12-6 |
| Molecular formula: | C12H22ClNO5 |
| Molecular weight: | 295.76 g/mol |
| SMILES: | CCCC(=O)OC1CN2CCC(C2C(C1O)O)O.Cl |
| Structural class: | |
| Other identifiers: |
(1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl butyrate (1S,6S,7S,8R,8aR)-octahydro-1,7,8-trihydroxy-6-indolizinyl butyrate, hydrochloride 6-O-butanoylcastanospermine BuCast butanoic acid, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 1440 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 3200 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 5200 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate;hydrochloride
4.2 InChI
InChI=1S/C12H21NO5.ClH/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16;/h7-8,10-12,14,16-17H,2-6H2,1H3;1H/t7-,8-,10+,11+,12+;/m0./s1
4.3 InChIKey
KXNZMBFOWDNCRU-QVMZSJACSA-N
4.4 Canonical SMILES
CCCC(=O)OC1CN2CCC(C2C(C1O)O)O.Cl
4.5 Isomeric SMILES
CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O.Cl
