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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110415 |
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Identification |
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| Name: |
chloramphenicol 3-acetate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | -
acetic acid [2-(2,2-dichloroacetyl)amino-3-hydroxy-3-(4- nitrophenyl)-propyl] ester
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Chemical Formula: |
C13H14N2O6Cl2
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| Average Molecular Weight: |
365.17 |
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| Monoisotopic Molecular
Weight: |
365.0307166445 |
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| InChI Key: |
VVOIFRARHIZCJD-UHFFFAOYSA-N |
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| InChI: |
InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl acetate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1(=CC=C(C=C1)[N+]([O-])=O) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
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Kingdom |
Organic compounds |
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| Super Class | Benzenoids |
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Class |
Benzene and substituted derivatives |
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| Sub Class | Nitrobenzenes |
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Direct Parent |
Nitrobenzenes |
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| Alternative Parents |
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| Substituents |
- Nitrobenzene
- Nitroaromatic compound
- Carboxamide group
- Carboxylic acid ester
- C-nitro compound
- Secondary alcohol
- Organic nitro compound
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxoazanium
- Organic 1,3-dipolar compound
- Allyl-type 1,3-dipolar organic compound
- Propargyl-type 1,3-dipolar organic compound
- Organooxygen compound
- Organonitrogen compound
- Organochloride
- Alkyl halide
- Organohalogen compound
- Organic oxide
- Organopnictogen compound
- Alkyl chloride
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Organic zwitterion
- Carbonyl group
- Organic nitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
- a small molecule (CHLORAMPHENICOL-3-ACETATE)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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