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Azathramycin

CAT: 0127-BUP15770-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15770-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76801-85-9
Synonyms
Desmethyl Azithromycin, 6-Demethylazithromycin, Azaerythromycin A, Azaerythromycin
Purity
=98%
Smiles
O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3

Chemical Information

9-Deoxo-9a-aza-9a-homoerythromycin A

structure given in first source

CAS Number76801-85-9
PubChem CID9810601
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC37H70N2O12
Molecular Weight735.0
XLogP3.6
Topological Polar Surface Area189
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count51
Formal Charge0
Complexity1120
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](NC[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)C)O)(C)O
InChI
InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
HRKNNHYKWGYTEN-HOQMJRDDSA-N
Chemical Structure
2D Structure
2D structure of 9-Deoxo-9a-aza-9a-homoerythromycin A
CAS: 76801-85-9
CID: 9810601
Formula: C37H70N2O12
MW: 735.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.0
XLogP33.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass734.49287567
Monoisotopic Mass734.49287567
Topological Polar Surface Area189 Ų
Heavy Atom Count51
Formal Charge0
Complexity1120
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

Alternative Products

CatalogName
HY-17442-01Azathramycin
A15010-500Azathramycin 500mg
HY-17442R-01Azathramycin (Standard)
A15010-100Azathramycin 100mg
A15010-50Azathramycin 50mg
A15010-1000Azathramycin 1g
A15010-250Azathramycin 250mg
A15010-25Azathramycin 25mg
MBS6045067-019-Deoxo-9a-aza-9a-homo Erythromycin A (Azaerythromycin A, Azathramycin)
AR-A07971-01N-Nitroso Azithromycin EP Impurity A Acetate (N-Nitroso Azathramycin Acetate, N-Nitroso Desmethyl Azithromycin Acetate)

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