Azithromycin hydrate

CAT: 0931-T1419-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T1419-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

117772-70-0

Target

Autophagy, Parasite, ribosome, Antibacterial, Antibiotic

Related Pathways

Autophagy, Microbiology/Virology

Purity

0.9992

Bioactivity

Azithromycin hydrate (CP-62993 dihydrate) is a semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.

Smiles

N1([C@@H]([C@H]([C@@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@@](C[C@H](C1)C)(O)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C)O)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C)CC)(O)C)O)C)C.O.O

Molecular Formula

C38H72N2O12·2H2O

Molecular Weight

785.03

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Azithromycin Dihydrate

Azithromycin dihydrate is a hydrate. It contains an azithromycin.

CAS Number	117772-70-0
PubChem CID	3033819
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;dihydrate
Molecular Formula	C38H76N2O14
Molecular Weight	785.0
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Heavy Atom Count	54
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.O.O

InChI

InChI=1S/C38H72N2O12.2H2O/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;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1

InChIKey

SRMPHJKQVUDLQE-KUJJYQHYSA-N

Chemical Structure

2D Structure

CAS: 117772-70-0

CID: 3033819

Formula: C38H76N2O14

MW: 785.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	785.0
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	784.52965510
Monoisotopic Mass	784.52965510
Topological Polar Surface Area	182 Å²
Heavy Atom Count	54
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	3
Compound Is Canonicalized	Yes

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Catalog	Name
HY-17506A-01	Azithromycin (hydrate)
GTR19175462-01	Azithromycin hydrate
HY-17506AR-01	Azithromycin (hydrate) (Standard)
B1398-25	Azithromycin

Azithromycin hydrate

Chemical Information

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