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Cas Database |
| Name |
7-Epiclindamycin hydrochloride |
EINECS | N/A |
| CAS No. | 17431-55-9 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H33ClN2O5S•ClH | Boiling Point | 628.1°Cat760mmHg |
| Molecular Weight | 461.50 | Flash Point | 333.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal and intravenous route. Moderately toxic by subcutaneous and ingestion routes. When heated to decomposition it emits toxic vapors of NOx, SOx, HCl, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
N/A |
Article Data | 4 |
7-Epiclindamycin hydrochloride Chemical Properties
Product Name: 7-Epiclindamycin hydrochloride (CAS NO.17431-55-9)
Molecular Formula: C18H34Cl2N2O5S
Molecular Weight: 461.444g/mol
Mol File: 17431-55-9.mol
Boiling point: 628.1 °C at 760 mmHg
Flash Point: 333.6 °C
Enthalpy of Vaporization: 106.52 kJ/mol
Vapour Pressure: 2.07E-18 mmHg at 25°C
H-Bond Donor: 5
H-Bond Acceptor: 6
IUPAC Name: (2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,
5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-
propylpyrrolidine-2-carboxamide hydrochloride
Canonical SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl
Isomeric SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H]
(O2)SC)O)O)O)[C@@H](C)Cl.Cl
InChI: InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)
16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,
25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1
InChIKey: AUODDLQVRAJAJM-BOMBIWCESA-N
7-Epiclindamycin hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 262mg/kg (262mg/kg) | Antimicrobial Agents and Chemotherapy Vol. -, Pg. 727, 1966. | |
| mouse | LD50 | intravenous | 143mg/kg (143mg/kg) | Antimicrobial Agents and Chemotherapy Vol. -, Pg. 727, 1966. | |
| mouse | LD50 | oral | 1479mg/kg (1479mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 773, 1969. |
| mouse | LD50 | subcutaneous | 656mg/kg (656mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 773, 1969. |
| rat | LD50 | intraperitoneal | 279mg/kg (279mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 773, 1969. |
| rat | LD50 | oral | 4022mg/kg (4022mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 773, 1969. |
| rat | LD50 | subcutaneous | 891mg/kg (891mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 16, Pg. 773, 1969. |
7-Epiclindamycin hydrochloride Safety Profile
A poison by intraperitoneal and intravenous route. Moderately toxic by subcutaneous and ingestion routes. When heated to decomposition it emits toxic vapors of NOx, SOx, HCl, and Cl−.
7-Epiclindamycin hydrochloride Specification
7-Epiclindamycin hydrochloride ,its CAS NO. is 17431-55-9,the synonyms is 7-Deoxy-7(R)-chlorolincomycin hydrochloride ; 7-Epiclindamycin HCl ; D-erythro-D-galacto-Octopyranoside, methyl 7-(S)-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, hydrochloride, trans-alpha- ; D-erythro-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, monohydrochloride, (2S-trans)- .
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