1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea (CHEM285421)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 03:02:11 UTC | ||||||||
| Update Date | 2026-08-28 03:02:11 UTC | ||||||||
| Accession Number | CHEM285421 | ||||||||
| Identification | |||||||||
| Common Name | 1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C13H22Cl2N6O7 and an average molecular weight of 445.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H22Cl2N6O7 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 444.093 g/mol | ||||||||
| CAS Registry Number | 98383-27-8 | ||||||||
| IUPAC Name | 1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1CC(C(C(O1)CNC(=O)N(CCCl)N=O)O)NC(=O)N(CCCl)N=O | ||||||||
| InChI Identifier | InChI=1S/C13H22Cl2N6O7/c1-27-10-6-8(17-13(24)21(19-26)5-3-15)11(22)9(28-10)7-16-12(23)20(18-25)4-2-14/h8-11,22H,2-7H2,1H3,(H,16,23)(H,17,24)/t8-,9-,10+,11+/m1/s1 | ||||||||
| InChI Key | PQBFTBGFFUDOCM-ZNSHCXBVSA-N | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
