1. Primary Information
| English name: | Panhematin |
| CAS No.: | 16009-13-5 |
| Molecular formula: | C34H32ClFEN4O4 |
| Molecular weight: | 651.9 g/mol |
| SMILES: | CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3] |
| 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 | 20mg | HPLC≥98% | 120 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 1g | BR，98% | 32 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 5g | BR，98% | 92 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 25g | BR，98% | 352 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 100g | BR，98% | 1120 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 500g | BR，98% | 4400 | 2-8℃,避光 | 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-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
4.2 InChI
InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3
4.3 InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K
4.4 Canonical SMILES
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]
4.5 Isomeric SMILES
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