1. Primary Information
| English name: | Premarin |
| CAS No.: | 438-67-5 |
| Molecular formula: | C18H21NAO5S |
| Molecular weight: | 372.4 g/mol |
| SMILES: | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
estrone sulfate estrone sulfate, 14C-labeled estrone sulfate, 16-(14)C-labeled estrone sulfate, ammonium salt estrone sulfate, potassium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 98% | 1504 | -20°C | in stock | - |
| Kehua Intelligence | 5mg | 98% | 600 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 98% | 960 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1920 | -20°C | in stock | - |
| Kehua Intelligence | 100mg | 98% | 4640 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
4.2 InChI
InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
4.3 InChIKey
VUCAHVBMSFIGAI-ZFINNJDLSA-M
4.4 Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
4.5 Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]
