1. Primary Information
| English name: | Tamoxifen citrate |
| CAS No.: | 54965-24-1 |
| Molecular formula: | C32H37NO8 |
| Molecular weight: | 563.6 g/mol |
| SMILES: | CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
Citrate, Tamoxifen ICI 46,474 ICI 46474 ICI 47699 ICI-46,474 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 99% | 280 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 99% | 64 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 99% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 99% | 576 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
4.2 InChI
InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
4.3 InChIKey
FQZYTYWMLGAPFJ-OQKDUQJOSA-N
4.4 Canonical SMILES
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
4.5 Isomeric SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
