1. Primary Information
| English name: | 1-(5-Carboxypentyl)-2-(2-(3-(2-(1-(5-carboxypentyl)-3,3-dimethylindolin-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium bromide |
| CAS No.: | 172971-76-5 |
| Molecular formula: | C42H52BRClN2O4 |
| Molecular weight: | 764.2 g/mol |
| SMILES: | CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)O)(C)C)CCC3)Cl)CCCCCC(=O)O)C.[Br-] |
| Structural class: | |
| Other identifiers: |
MHI-148 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 320 | RT | in stock | - |
| Kehua Intelligence | 10mg | 98% | 480 | RT | in stock | - |
| Kehua Intelligence | 25mg | 98% | 880 | RT | in stock | - |
| Kehua Intelligence | 100mg | 98% | 2400 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
6-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-(5-carboxypentyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoic acid;bromide
4.2 InChI
InChI=1S/C42H51ClN2O4.BrH/c1-41(2)32-18-9-11-20-34(32)44(28-13-5-7-22-38(46)47)36(41)26-24-30-16-15-17-31(40(30)43)25-27-37-42(3,4)33-19-10-12-21-35(33)45(37)29-14-6-8-23-39(48)49;/h9-12,18-21,24-27H,5-8,13-17,22-23,28-29H2,1-4H3,(H-,46,47,48,49);1H
4.3 InChIKey
SBSLCJXMLMGYFH-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)O)(C)C)CCC3)Cl)CCCCCC(=O)O)C.[Br-]
4.5 Isomeric SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCCC(=O)O)(C)C)/CCC3)Cl)CCCCCC(=O)O)C.[Br-]
