1. Primary Information
| English name: | (E)-N-ethyl-6,6-dimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride |
| CAS No.: | 204067-52-7 |
| Molecular formula: | C27H38ClNO2S |
| Molecular weight: | 476.1 g/mol |
| SMILES: | CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC(C)(C)OCC2=CSC=C2.Cl |
| Structural class: | |
| Other identifiers: |
(E)-N-ethyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-(2-methyl-2-(3-thienylmethoxy)propyloxy)benzylamine hydrochloride FR 194738 FR194738 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 2400 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 3600 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 6400 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 14400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-N-ethyl-6,6-dimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride
4.2 InChI
InChI=1S/C27H37NO2S.ClH/c1-7-28(16-10-8-9-15-26(2,3)4)19-23-12-11-13-25(18-23)29-22-27(5,6)30-20-24-14-17-31-21-24;/h8,10-14,17-18,21H,7,16,19-20,22H2,1-6H3;1H/b10-8+;
4.3 InChIKey
XZCWZZDUAVANHV-VRTOBVRTSA-N
4.4 Canonical SMILES
CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC(C)(C)OCC2=CSC=C2.Cl
4.5 Isomeric SMILES
CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC(C)(C)OCC2=CSC=C2.Cl
