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Clarithromycin EP impurity B

CAT: 0926-FC166282-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FC166282-02Size:2 mg
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CAS Number
299409-85-1
Smiles
C[C@@] (OC) (C[C@H] (C ([C@@H]1C) =O) C) [C@@H] ([C@H] ([C@@H] ([C@H] (C (O[C@H] (C) [C@@] (C) (O) [C@@H]1O) =O) C) O[C@@] (O[C@@H] (C) [C@@H]2O) ([H]) C[C@@]2 (C) OC) C) O[C@@] (O[C@H] (C) C[C@@H]3N (C) C) ([H]) [C@@H]3O
Molecular Formula
C37H67NO13
Molecular Weight
733.93 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Clarithromycin EP impurity B
CAS Number299409-85-1
PubChem CID60091371
IUPAC Name(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13,14-heptamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC37H67NO13
Molecular Weight733.9
XLogP2.6
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count51
Formal Charge0
Complexity1180
SMILES
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)C)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O)N(C)C
InChI
InChI=1S/C37H67NO13/c1-18-16-36(9,46-14)32(51-34-28(40)25(38(11)12)15-19(2)47-34)21(4)29(50-26-17-35(8,45-13)31(42)23(6)48-26)22(5)33(43)49-24(7)37(10,44)30(41)20(3)27(18)39/h18-26,28-32,34,40-42,44H,15-17H2,1-14H3/t18-,19-,20+,21+,22-,23+,24-,25+,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
NRUFZDDXCQSRMR-LMEYZBMVSA-N
Chemical Structure
2D Structure
2D structure of Clarithromycin EP impurity B
CAS: 299409-85-1
CID: 60091371
Formula: C37H67NO13
MW: 733.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight733.9
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass733.46124119
Monoisotopic Mass733.46124119
Topological Polar Surface Area183 Ų
Heavy Atom Count51
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count18
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
RM-C181301-01Clarithromycin EP Impurity A; Clarithromycin USP Impurity A (clarithromycin F)
RM-C181309-01Clarithromycin EP Impurity I; Clarithromycin USP Impurity I
RM-C181311-01Clarithromycin EP Impurity K; Clarithromycin USP Impurity K
RM-C181316-01Clarithromycin EP Impurity P; Clarithromycin USP Impurity P
RM-C181302-01Clarithromycin EP Impurity B; Clarithromycin USP Impurity B
RM-C181304-01Clarithromycin EP Impurity D; Clarithromycin USP Impurity D
RM-C181343-01Clarithromycin Impurity 43
RM-C181324-01Clarithromycin Impurity 24
RM-C181327-01Clarithromycin Impurity 27
RM-C181328-01Clarithromycin Impurity 28

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