1. Primary Information
| English name: | Carbenoxolone sodium |
| CAS No.: | 7421-40-1 |
| Molecular formula: | C34H48NA2O7 |
| Molecular weight: | 614.7 g/mol |
| SMILES: | CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
18alpha Carbenoxolone 18alpha Glycyrrhetinic Acid 3beta O Hemisuccinate 18alpha-Carbenoxolone 18alpha-Glycyrrhetinic Acid 3beta-O-Hemisuccinate 3-O-hemisuccinate, Glycyrrhetinic Acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 448 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 1200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
disodium;(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
4.2 InChI
InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
4.3 InChIKey
BQENDLAVTKRQMS-SBBGFIFASA-L
4.4 Canonical SMILES
CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
4.5 Isomeric SMILES
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]
