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Clarithromycin Impurity 43

CAT: 1299-RM-C181343-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C181343-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110671-78-8
Synonyms
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R) -6- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -12,13-dihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -14- (1-hydroxyethyl) -7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Molecular Formula
C38H69NO14
Molecular Weight
763.96
Target Alternative Name
Clarithromycin
Product Name Synonym
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R) -6- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -12,13-dihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -14- (1-hydroxyethyl) -7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

Chemical Information

14-Hydroxyclarithromycin

major metabolite of A 56268; RN given refers to cpd without isomeric designation

CAS Number110671-78-8
PubChem CID169490739
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-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3-(hydroxymethyl)-7-methoxy-5,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
Molecular FormulaC38H69NO14
Molecular Weight764.0
XLogP2.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count53
Formal Charge0
Complexity1210
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)CO)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C38H69NO14/c1-14-26-38(9,46)31(43)21(4)28(41)19(2)16-37(8,48-13)33(53-35-29(42)25(39(10)11)15-20(3)49-35)22(5)30(24(18-40)34(45)51-26)52-27-17-36(7,47-12)32(44)23(6)50-27/h19-27,29-33,35,40,42-44,46H,14-18H2,1-13H3/t19-,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
JDKPAXGOJMGSAE-SSUCSANQSA-N
Chemical Structure
2D Structure
2D structure of 14-Hydroxyclarithromycin
CAS: 110671-78-8
CID: 169490739
Formula: C38H69NO14
MW: 764.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.0
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass763.47180587
Monoisotopic Mass763.47180587
Topological Polar Surface Area203 Ų
Heavy Atom Count53
Formal Charge0
Complexity1210
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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