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Clindamycin Phosphate EP Impurity I

CAT: 1299-RM-C120429-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C120429-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309048-48-3
Synonyms
(2R,3R,4S,5R,6R) -2- ((1S,2S) -2-chloro-1- ((2S,4R) -1-methyl-4-propylpyrrolidine-2-carboxamido) propyl) -4-hydroxy-6- (methylthio) tetrahydro-2H-pyran-3,5-diyl bis (dihydrogen phosphate)
Molecular Formula
C18H35ClN2O11P2S
Molecular Weight
584.94
Target Alternative Name
Clindamycin
Product Name Synonym
(2R,3R,4S,5R,6R) -2- ((1S,2S) -2-chloro-1- ((2S,4R) -1-methyl-4-propylpyrrolidine-2-carboxamido) propyl) -4-hydroxy-6- (methylthio) tetrahydro-2H-pyran-3,5-diyl bis (dihydrogen phosphate)

Chemical Information

Clindamycin 2,4-Diphosphate
CAS Number1309048-48-3
PubChem CID131871991
IUPAC Name[(2R,3R,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4-hydroxy-6-methylsulfanyl-5-phosphonooxyoxan-3-yl] dihydrogen phosphate
Molecular FormulaC18H35ClN2O11P2S
Molecular Weight584.9
XLogP-2.9
Topological Polar Surface Area221
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity817
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)OP(=O)(O)O)[C@H](C)Cl
InChI
InChI=1S/C18H35ClN2O11P2S/c1-5-6-10-7-11(21(3)8-10)17(23)20-12(9(2)19)14-15(31-33(24,25)26)13(22)16(18(30-14)35-4)32-34(27,28)29/h9-16,18,22H,5-8H2,1-4H3,(H,20,23)(H2,24,25,26)(H2,27,28,29)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1
InChIKey
SPZJAFHRZHRDNU-AWPVFWJPSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin 2,4-Diphosphate
CAS: 1309048-48-3
CID: 131871991
Formula: C18H35ClN2O11P2S
MW: 584.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.9
XLogP3-2.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass584.1125328
Monoisotopic Mass584.1125328
Topological Polar Surface Area221 Ų
Heavy Atom Count35
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-C07939-01Clindamycin Phosphate Impurity 13
AR-C07967-01Clindamycin Phosphate Impurity 7
AR-C07965-01Clindamycin Phosphate Impurity 4
AR-C07969-01Clindamycin Phosphate Impurity 9
AR-C07964-01Clindamycin Phosphate Impurity 3
AR-C07968-01Clindamycin Phosphate Impurity 8
AR-C07966-01Clindamycin Phosphate Impurity 5
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