Azithromycin

CAT: 0926-AD29657-01Size: 0.03 kgDry Ice: NoHazardous: No

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CAT#:0926-AD29657-01Size:0.03 kg

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CAS Number

83905-01-5

Synonyms

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

MDL Number

MFCD00873574

Smiles

CC[C@H]1OC (=O) [C@H] (C) [C@@H] (O[C@H]2C[C@@] (C) (OC) [C@@H] (O) [C@H] (C) O2) [C@H] (C) [C@@H] (O[C@@H]3O[C@H] (C) C[C@@H] ([C@H]3O) N (C) C) [C@] (C) (O) C[C@@H] (C) CN (C) [C@H] (C) [C@@H] (O) [C@]1 (C) O

Molecular Formula

C38H72N2O12

Molecular Weight

748.98 g/mol

Controlled

Chemical Information

Azithromycin

Azithromycin is a macrolide antibiotic useful for the treatment of bacterial infections. It has a role as a xenobiotic, an antibacterial drug and an environmental contaminant. It is a conjugate base of an azithromycin(2+).

CAS Number	83905-01-5
PubChem CID	447043
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-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula	C38H72N2O12
Molecular Weight	749.0
XLogP	4
Topological Polar Surface Area	180
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	52
Formal Charge	0
Complexity	1150

SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[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)C)O)(C)O

InChI

InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

InChIKey

MQTOSJVFKKJCRP-BICOPXKESA-N

Chemical Structure

2D Structure

CAS: 83905-01-5

CID: 447043

Formula: C38H72N2O12

MW: 749.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	749.0
XLogP3	4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	748.50852574
Monoisotopic Mass	748.50852574
Topological Polar Surface Area	180 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1150
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-254949	Azithromycin

Azithromycin

Chemical Information

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