Calmangafodipir (CHEM135656)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 22:10:30 UTC | ||||||||
| Update Date | 2026-05-14 20:08:09 UTC | ||||||||
| Accession Number | CHEM135656 | ||||||||
| Identification | |||||||||
| Common Name | Calmangafodipir | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C110H150Ca4MnN20O70P10 | ||||||||
| Average Molecular Mass | 3397.468 g/mol | ||||||||
| Monoisotopic Mass | 3395.405 g/mol | ||||||||
| CAS Registry Number | 1401243-67-1 | ||||||||
| IUPAC Name | tetracalcium manganese(2+) pentakis((4-{[(carboxymethyl)({2-[(carboxymethyl)({5-[(hydrogen phosphonatooxy)methyl]-3-hydroxy-2-methylpyridin-4-yl}methyl)amino]ethyl})amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Ca++].[Ca++].[Ca++].[Ca++].[Mn++].CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O.CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(COP(O)([O-])=O)C=NC(C)=C2O)CC(O)=O)=C1O | ||||||||
| InChI Identifier | InChI=1S/5C22H32N4O14P2.4Ca.Mn/c5*1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;;/h5*5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;;/q;;;;;5*+2/p-10 | ||||||||
| InChI Key | QAOJLUYEMFXJGX-UHFFFAOYSA-D | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
