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Chloramphenicol Sodium Succinate
CAS: 982-57-0 | C15H16Cl2N2NaO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
982-57-0
Molecular Formula:
C15H16Cl2N2NaO8
Molecular Mass:
446.20 g/mol
Names and Synonyms:
Chloramphenicol Sodium Succinate
Butanedioic acid, 1-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, sodium salt (1:1)
Chloramphenicol sodium hemisuccinate
Cidocetine
Protophenicol
Chloramphenicol monosuccinate sodium salt
Succinic acid, α-monoester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide, monosodium salt
Butanedioic acid, mono[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, monosodium salt, [R-(R*,R*)]-
Butanedioic acid, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, monosodium salt
Chloramphenicol sodium succinate
Chloramphenicol succinate sodium salt
Chloromycetin sodium succinate
Levomycetin-Nalcein
Sodium chloramphenicol 3-succinate
Solnicol
Chloramphenicol succinate sodium
Sodium chloramphenical monosuccinate
D-Chloramphenicol sodium succinate
Chloramphenicol sodium monosuccinate
Chlorocid S
Levomycetin sodium succinate
Sodium chloramphenicol succinate
Betamicetin
Mychel-S
Nalecin
Nevimycin
Clorofenicina
Cloromoin
Identifiers:
SMILES:
O=C(O)CCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na]
InChI:
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);/t10-,13-;/m1./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.20 g/mol | CAS Common Chemistry |
| 446.19500000000016 g/mol | RDKit | |
| 445.01814011199997 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O | CAS Common Chemistry |
| InChI | 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);/t10-,13-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OQAWGHRXAVKAIG-HTMVYDOJSA-N | CAS Common Chemistry |
| Name | Chloramphenicol sodium succinate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 159.56 Ų | RDKit |
| LogP | 1.7842 | RDKit |
| Molar Refractivity | 100.98480000000004 | RDKit |
