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Home> Encyclopedia >   /  Inorganic Chemicals  /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals
24729-96-2 structure

Clindamycin phosphate

Iupac Name:[6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
CAS No.:24729-96-2
EINECS(EC#): 246-433-0
Molecular Weight:504.96
Molecular Formula:C18H34ClN2O8PS (isomer)
1. Names and Identifiers
1.1 Synonyms

(2S-trans)-Methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-L-threo-.alpha.-D-galacto-octopyranoside 2-(dihydrogen phosphate) [(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 [(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propyl-pyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-tetrahydropyran-3-yl] dihydrogen phosphate [(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-{[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]formamido}propyl]-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl]oxyphosphonic acid [6-[2-chloro-1-[(1-methyl-4-propyl-pyrrolidine-2-carbonyl)amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-oxan-3-yl]oxyphosphonic acid [6-[2-chloro-1-[[(2s,4r)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate 24729-96-2 7(S)-Chloro-7-deoxylincomycin 2-phosphate AB01566857_01 AC1L7D1S AC1L9EKE AKOS008901431 API0002056 AS-12554 AX8019646 BDBM241975 BRD-K27771035-001-02-5 C11728 C18H34ClN2O8PS CAS-24729-96-2 CHEMBL3184512 Cleocin phosphate CLEOCIN PHOSPHATE IN DEXTROSE 5% IN PLASTIC CONTAINER Cleocin T Cleocin T (TN) Clinda-Derm Clindagel Clindamax Clindamycin (phosphate) Clindamycin 2-dihydrogen phosphate Clindamycin 2-phosphate Clindamycin dihydrogenphosphat Clindamycin injection Clindamycin phosphate (JP17/USP) Clindamycin phosphate [USAN:JAN] Clindamycin phosphate [USAN:USP:JAN] CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% CLINDAMYCIN PHOSPHATE IN DEXTROSE 5% IN PLASTIC CONTAINER Clindamycin-2-dihydrogenphosphat CLINDAMYCIN-2-PHOSPHATE clindamycin-phosphate Clindesse Clindets CS-4620 D01073 Dalacin P Dalacin T Dalacin-S Dalacin-S (TN) DSSTox_CID_28603 DSSTox_GSID_48677 DSSTox_RID_82873 DTXSID1048677 EH6D7113I8 EINECS 246-433-0 Evoclin (TN) HY-B1064 LS-98133 l-threo-.alpha.-d-galacto-octopyranoside,7,8-trideoxy-6-[[(1-methyl-4-propyl-2- pyrrolidinyl)carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate), (2s-trans)- L-threo-alpha-D-galacto-Octapyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-(dihydrogen phosphate), (2S-trans)- L-threo-alpha-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-(dihydrogen phosphate), (2S-trans)- 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) Methyl (2S-trans)-7-chloro-6,7,8-trideoxy-6-(((1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-L-threo-alpha-D-galacto-octopyranoside, 2-(dihydrogen phosphate) Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2- pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside 2-(dihydrogen phosphate) Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside 2-(dihydrogen phosphate) MFCD07793328 NCGC00163494-01 NCGC00166320-01 NCGC00386379-01 NSC 618653 nsc618653 nsc-618653 PubChem5913 s2048 SCHEMBL37148 SR-01000872581 SR-01000872581-1 ST24046358 Tox21_113055 Tox21_113410 U 28508 U-28,508 U-28508 UFUVLHLTWXBHGZ-MGZQPHGTSA-N UNII-EH6D7113I8 ZINC4102185

1.2 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?/m1/s1
1.3 InChkey
UFUVLHLTWXBHGZ-TVRZWJSOSA-N
1.4 Canonical Smiles
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl
1.5 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
2. Properties
2.1 Appearance
White solid
2.2 Density
1.41 g/cm3
2.3 Melting Point
114 °C
2.4 Refractive Index
122 ° (C=1, H2O)
2.5 Solubility
Soluble in water
2.6 Stability
Stable, but store cool. Incompatible with strong oxidizing agents, calcium gluconate, barbiturates, magnesium sulfate, phenytoin, B group sodium vitamins.
2.6 Stability
2.7 HS Code
2934999090
2.8 Storage temp
2-8°C
3. Safety and Handling
3.1 Hazard Codes
Xi
3.2 Risk Statements
R22
3.3 Safety Statements
36-26
3.4 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.

3.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1100mg/kg (1100mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
mouse LD50 intraperitoneal 784mg/kg (784mg/kg) ? Drugs under Experimental and Clinical Research. Vol. 3, Pg. 79, 1977.
mouse LD50 intravenous 820mg/kg (820mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
mouse LD50 oral 2539mg/kg (2539mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
mouse LD50 subcutaneous 1036mg/kg (1036mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
rat LD50 intramuscular > 3500mg/kg (3500mg/kg) ? Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 25, Pg. 691, 1983.
rat LD50 intraperitoneal 745mg/kg (745mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
rat LD50 intravenous 321mg/kg (321mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
rat LD50 oral 1832mg/kg (1832mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 27, Pg. 308, 1974.
rat LD50 subcutaneous 3861mg/kg (3861mg/kg) ? Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983.
women TDLo intravenous 12mg/kg (12mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

CARDIAC: OTHER CHANGES

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Southern Medical Journal. Vol. 75, Pg. 768, 1982.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Synthesis Route
24729-96-2Total: 1 Synthesis Route
7. Precursor and Product
precursor:
21462-39-5
21462-39-5
8. Computational chemical data
  • Molecular Weight:504.96g/mol
  • Molecular Formula:C18H34ClN2O8PS
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.2
  • Exact Mass:504.146
  • Monoisotopic Mass:504.146
  • Complexity:658
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:174A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:7
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB7PAJEAAAAAAAAAAAAAAAAAWAAAAAkAAAAAAAAAAAAAAAAHgYQCCAADT/lwEaCAAPABxgI QAEQEIAAAAAAABAAAIGIAgADUBIhgCBXQAAHFgCTAAH42aOOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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