1. Primary Information
| English name: | 8-Br-cGMP |
| CAS No.: | 51116-01-9 |
| Molecular formula: | C10H10BRN5NAO7P |
| Molecular weight: | 446.08 g/mol |
| SMILES: | C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
8-Br-cyclic GMP 8-bromo cGMP 8-bromo-cGMP 8-bromo-cyclic GMP 8-bromocyclic GMP |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 480 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1600 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 4320 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-1H-purin-6-one
4.2 InChI
InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-;/m1./s1
4.3 InChIKey
ZJRFCXHKYQVNFK-YEOHUATISA-M
4.4 Canonical SMILES
C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+]
4.5 Isomeric SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+]
