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Dirithromycin EP Impurity A

CAT: 1299-RM-D180901-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D180901-04Size:100 mg
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CAS Number
26116-56-3
Synonyms
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R) -10-amino-6- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -14-ethyl-7,12,13-trihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
Molecular Formula
C37H70N2O12
Molecular Weight
734.96
Target Alternative Name
Dirithromycin
Product Name Synonym
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R) -10-amino-6- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -14-ethyl-7,12,13-trihydroxy-4- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

Chemical Information

Erythromycylamine

(9S)-erythromycyclamine is a macrolide antibiotic that is erythromycin A in which the ketone group has been converted into the corresponding imine and then reduced to give the corresponding amino compound (the 9S diastereoisomer).

CAS Number26116-56-3
PubChem CID83952
IUPAC Name(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC37H70N2O12
Molecular Weight735.0
XLogP3.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count51
Formal Charge0
Complexity1140
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)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)O)C)N)C)O)(C)O
InChI
InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
XCLJRCAJSCMIND-JCTYMORFSA-N
Chemical Structure
2D Structure
2D structure of Erythromycylamine
CAS: 26116-56-3
CID: 83952
Formula: C37H70N2O12
MW: 735.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.0
XLogP33.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass734.49287567
Monoisotopic Mass734.49287567
Topological Polar Surface Area203 Ų
Heavy Atom Count51
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count19
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

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AR-D01992-01Dirithromycin EP Impurity D
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