1. Primary Information
| English name: | Elacestrant hydrochloride |
| CAS No.: | 1349723-93-8 |
| Molecular formula: | C30H40Cl2N2O2 |
| Molecular weight: | 531.6 g/mol |
| SMILES: | CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)C3CCC4=C(C3)C=CC(=C4)O.Cl.Cl |
| Structural class: | |
| Other identifiers: |
(R)-6-(2-(ethyl(4-(2-(ethylamino)ethyl)benzyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol dihydrochloride elacestrant dihydrochloride RAD1901 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 1200 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 2800 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 4000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6R)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;dihydrochloride
4.2 InChI
InChI=1S/C30H38N2O2.2ClH/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26;;/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3;2*1H/t26-;;/m1../s1
4.3 InChIKey
XGFHYCAZOCBCRQ-FBHGDYMESA-N
4.4 Canonical SMILES
CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)C3CCC4=C(C3)C=CC(=C4)O.Cl.Cl
4.5 Isomeric SMILES
CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O.Cl.Cl
