1. Primary Information
| English name: | Relistor |
| CAS No.: | 73232-52-7 |
| Molecular formula: | C21H26BRNO4 |
| Molecular weight: | 436.3 g/mol |
| SMILES: | C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-] |
| Structural class: | |
| Other identifiers: |
(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-17-methyl-4,5-epoxymorphinan-17-ium-6-one 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinanium-6-one methyl-naltrexone hydrobromide methylnaltrexone methylnaltrexone bromide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 864 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 2928 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 4560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one;bromide
4.2 InChI
InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1
4.3 InChIKey
IFGIYSGOEZJNBE-KNLJMPJLSA-N
4.4 Canonical SMILES
C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
4.5 Isomeric SMILES
C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
