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Clindamycin Hydrochloride EP Impurity B

CAT: 1299-RM-C120422-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C120422-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18323-43-8
Synonyms
(2S,4R) -N- ((1S,2S) -2-chloro-1- ((2R,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (methylthio) tetrahydro-2H-pyran-2-yl) propyl) -4-ethyl-1-methylpyrrolidine-2-carboxamide
Molecular Formula
C17H31ClN2O5S
Molecular Weight
410.96
Target Alternative Name
Clindamycin
Product Name Synonym
(2S,4R) -N- ((1S,2S) -2-chloro-1- ((2R,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (methylthio) tetrahydro-2H-pyran-2-yl) propyl) -4-ethyl-1-methylpyrrolidine-2-carboxamide

Chemical Information

Clindamycin B
CAS Number18323-43-8
PubChem CID71776756
IUPAC Name(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethyl-1-methylpyrrolidine-2-carboxamide
Molecular FormulaC17H31ClN2O5S
Molecular Weight411.0
XLogP1.6
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity488
SMILES
CC[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/C17H31ClN2O5S/c1-5-9-6-10(20(3)7-9)16(24)19-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,21-23H,5-7H2,1-4H3,(H,19,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1
InChIKey
UHQYIIRIOVIPLI-MHXMMLMNSA-N
Chemical Structure
2D Structure
2D structure of Clindamycin B
CAS: 18323-43-8
CID: 71776756
Formula: C17H31ClN2O5S
MW: 411.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.0
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass410.1642210
Monoisotopic Mass410.1642210
Topological Polar Surface Area128 Ų
Heavy Atom Count26
Formal Charge0
Complexity488
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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Alternative Products

CatalogName
AR-C03118-01Clindamycin Impurity C (7-Epi Clindamycin) hydrochloride
AR-C08000-01Clindamycin Hydrochloride EP Impurity F HCl
AR-C08003-01Clindamycin Hydrochloride EP Impurity E HCl (Mixture of Z and E Isomers)
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HY-B0408A-01Clindamycin (hydrochloride)

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