ContaminantDB: Chloramphenicol sodium succinate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 03:51:22 UTC

Update Date

2026-04-05 17:46:16 UTC

Accession Number

CHEM017003

Identification

Common Name

Chloramphenicol sodium succinate

Class

Small Molecule

Description

Not Available

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
CP	Kegg
Chloromycetin succinate	Kegg
Chloromycetin succinic acid	Generator
Sodium 4-[(2R,3R)-2-[(2,2-dichloro-1-hydroxyethylidene)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid	Generator
Sodium;4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid	Generator
Chloramphenicol succinate	MeSH
Levomycetin succinate	MeSH
Chloramphenicol succinate sodium	MeSH
Chloramphenicol hemisuccinate	MeSH
Chloramphenicol monosuccinate	MeSH
Chloramphenicol sodium succinate	MeSH
CHLORAMPHENICOL sodium succinic acid	Generator

Chemical Formula

C₁₅H₁₅Cl₂N₂NaO₈

Average Molecular Mass

445.180 g/mol

Monoisotopic Mass

444.010 g/mol

CAS Registry Number

982-57-0

IUPAC Name

sodium 4-[(2R,3R)-2-[(2,2-dichloro-1-hydroxyethylidene)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

Traditional Name

sodium 4-[(2R,3R)-2-[(2,2-dichloro-1-hydroxyethylidene)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

SMILES

[Na+].[H][C@@](O)(C1=CC=C(C=C1)N(=O)=O)[C@@]([H])(COC(=O)CCC([O-])=O)N=C(O)C(Cl)Cl

InChI Identifier

InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1

InChI Key

RPLOPBHEZLFENN-HTMVYDOJSA-M

Chemical Taxonomy

Description

belongs to the class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Nitrobenzenes

Direct Parent

Nitrobenzenes

Alternative Parents

Substituents

Nitrobenzene
Nitroaromatic compound
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Carboxamide group
Carboxylic acid ester
Carboxylic acid salt
C-nitro compound
Organic nitro compound
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Organic metal halide
Organic alkali metal salt
Organic oxoazanium
Allyl-type 1,3-dipolar organic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organic oxygen compound
Organonitrogen compound
Organochloride
Carbonyl group
Organohalogen compound
Hydrocarbon derivative
Organic oxide
Alkyl halide
Alkyl chloride
Organopnictogen compound
Organooxygen compound
Organic sodium salt
Organic salt
Aromatic alcohol
Organic zwitterion
Organic nitrogen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.041 g/L	ALOGPS
logP	1.74	ALOGPS
logP	1.96	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	2.12	ChemAxon
pKa (Strongest Basic)	0.064	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	165.07 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	104.6 m³·mol⁻¹	ChemAxon
Polarizability	36.83 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a7i-1509800000-abbe3b5aa429f6a91d4c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-5649200000-d4fcddc664d26ffa8ff0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-8931000000-55d68c701c9cea8dcc43	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0zfv-8329800000-a293f79a8bf926c5d5c2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0f6t-9422200000-bf4353f607ff973fb1de	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004j-8910000000-9190e611cd5de94ff4e2	Spectrum

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

DrugBank ID

DBSALT001357

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

656833

Kegg Compound ID

C13962

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Chloramphenicol sodium succinate (CHEM017003)

Structure for CHEM017003: Chloramphenicol sodium succinate