1. Primary Information
| English name: | CID 449355 |
| CAS No.: | 15489-90-4 |
| Molecular formula: | C34H34FEN4O5 |
| Molecular weight: | 634.5 g/mol |
| SMILES: | CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2] |
| Structural class: | |
| Other identifiers: |
Alkaline Hematin D 575 Alkaline Hematin D-575 Chloride, Ferriheme Chloride, Ferriprotoporphyrin IX Chlorohemin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | 高纯，98% | 224 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 高纯，98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 高纯，98% | 2240 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+);hydrate
4.2 InChI
InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2
4.3 InChIKey
CODDGSIFXYHHJO-UHFFFAOYSA-L
4.4 Canonical SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2]
4.5 Isomeric SMILES
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