Clarithromycin

CAT: 0804-HY-17508-04Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-17508-04Size:500 mg

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Description

Clarithromycin has a broad spectrum of antimicrobial activity. Clarithromycin inhibits the CYP3A4-catalyzed triazolam alpha-hydroxylation with the IC50 (Ki) value of 56 (43) μM[2]. Clarithromycin significantly inhibits the HERG potassium current[3].Clarithromycin affects the autophagic flux by impairing the signaling pathway linking hERG1 and PI3K[4].

CAS Number

81103-11-9

UNSPSC

12352005

Hazard Statement

H302

Target

Antibiotic; Autophagy; Bacterial; Cytochrome P450

Type

Reference compound

Related Pathways

Anti-infection; Autophagy; Metabolic Enzyme/Protease

Applications

COVID-19-immunoregulation

Field of Research

Infection; Cancer

Assay Protocol

https://www.medchemexpress.com/Clarithromycin.html

Purity

99.90

Solubility

DMSO : 33.33 mg/mL (ultrasonic)

Smiles

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

Molecular Formula

C38H69NO13

Molecular Weight

747.95

Precautions

H302

References & Citations

Mycobacterium avium

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

CYP3; Macrolide

Chemical Information

Clarithromycin

Clarithromycin can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	81103-11-9
PubChem CID	84029
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-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular Formula	C38H69NO13
Molecular Weight	748.0
XLogP	3.2
Topological Polar Surface Area	183
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	52
Formal Charge	0
Complexity	1190

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)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)OC)C)C)O)(C)O

InChI

InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

InChIKey

AGOYDEPGAOXOCK-KCBOHYOISA-N

Chemical Structure

2D Structure

CAS: 81103-11-9

CID: 84029

Formula: C38H69NO13

MW: 748.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	748.0
XLogP3	3.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	747.47689126
Monoisotopic Mass	747.47689126
Topological Polar Surface Area	183 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1190
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

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A4322-100	Clarithromycin

Clarithromycin

Chemical Information

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