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Clindamycin phosphate(CAS No. 24729-96-2)

Clindamycin phosphate C18H34ClN2O8PS (cas 24729-96-2) Molecular Structure

24729-96-2 Structure

Identification and Related Records

【Name】
Clindamycin phosphate
【Iupac name】
[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,
4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,
5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
【CAS Registry number】
24729-96-2
【Synonyms】
U 28508
Dalacin-S
Cleocin phosphate
Dalacin T
Cleocin T (TN)
L-threo-R-D-galacto-Octopyranoside,methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1- methyl-4-propyl-2-pyrrolidinyl]carbonyl]- amino]-1-thio-,2-(dihydrogen phosphate)
Dalacin P
[6-[2-chloro-1-[(1-methyl-4-propyl-pyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-oxan-3-yl]oxyphosphonic acid
Cleocin T
Clindamycin 2-phosphate
【EINECS(EC#)】
246-433-0
【Molecular Formula】
C18H34ClN2O8PS (Products with the same molecular formula)
【Molecular Weight】
504.962921
【Inchi】
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1
【InChIKey】
UFUVLHLTWXBHGZ-MGZQPHGTSA-N
【Canonical SMILES】
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl
【Isomers 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)OP(=O)(O)O)O)O)[C@H](C)Cl

Chemical and Physical Properties

【Appearance】
White solid
【Density】
1.41 g/cm3
【Melting Point】
114 °C
【Refractive Index】
122 ° (C=1, H2O)
【Water】
Soluble in water
【Solubilities】
Soluble in water
【Stability】
Stable, but store cool. Incompatible with strong oxidizing agents, calcium gluconate, barbiturates, magnesium sulfate, phenytoin, B group sodium vitamins.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:504.962921 [g/mol]
Molecular Formula:C18H34ClN2O8PS
XLogP3:-1.2
H-Bond Donor:5
H-Bond Acceptor:10
Rotatable Bond Count:9
Tautomer Count:2
Exact Mass:504.146201
MonoIsotopic Mass:504.146201
Topological Polar Surface Area:174
Heavy Atom Count:31
Formal Charge:0
Complexity:658
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:3
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:12.2
Conformer Sampling RMSD:1.2
CID Conformer Count:46

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R22
【Safety Statements 】
36-26
【Safety】

Safety Information of?Clindamycin-2-phosphate (CAS NO.24729-96-2):?
Hazard Codes:?HarmfulXn,Xi
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36-26?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: GF2625000
Poison by intravenous route. Moderately toxic by ingestion, intramuscular, and subcutaneous routes. Human systemic effects by intravenous route: pulse rate increase, blood pressure lowering. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl?, POx, SOx, and NOx.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that reduce the growth or reproduction of BACTERIA.

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Raw materials

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