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7-Epi Clindamycin

CAT: 0572-TRC-E582485-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E582485-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16684-06-3
Synonyms
D-erythro-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-; D-erythro-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, trans- α- (8CI); D-erythro-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-; 7-Epiclindamycin; Antibiotic U 21251F; Methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
Molecular Formula
C18 H33 Cl N2 O5 S
Molecular Weight
424.98
InChI
InChI=1S/C18H33ClN2O5S/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)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
Additionnal Information
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
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

7-Epiclindamycin
CAS Number16684-06-3
PubChem CID3034218
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
Molecular FormulaC18H33ClN2O5S
Molecular Weight425.0
XLogP2.2
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity502
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
InChI
InChI=1S/C18H33ClN2O5S/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)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
InChIKey
KDLRVYVGXIQJDK-KIDUDLJLSA-N
Chemical Structure
2D Structure
2D structure of 7-Epiclindamycin
CAS: 16684-06-3
CID: 3034218
Formula: C18H33ClN2O5S
MW: 425.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.0
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass424.1798710
Monoisotopic Mass424.1798710
Topological Polar Surface Area128 Ų
Heavy Atom Count27
Formal Charge0
Complexity502
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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CatalogName
257302-017-Epi-Clindamycin
439645-017-Epi Clindamycin
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257292-017-Epi clindamycin 2-phosphate
sc-4985037-Epi Clindamycin 2-Palmitate
445979Dehydro 7-Epi Clindamycin (Mixture of Diasteriomers)
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