Etimicin (sulfate)

CAT: 0804-HY-B0755-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0755-01Size:5 mg

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Description

Etimicin (sulfate), a fourth-generation aminoglycoside antibiotic, is now widely clinically used due to its high efficacy and low toxicity.

CAS Number

362045-44-1

UNSPSC

12352211

Target

Antibiotic

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/etimicin-sulfate.html

Purity

99.59

Solubility

H2O : 100 mg/mL (ultrasonic)

Smiles

O=S(O)(O)=O.CCN[C@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2O[C@@H](CC[C@H]2N)CN)N)[C@@H]1O[C@@H]3[C@@H]([C@H]([C@@](O)(CO3)C)NC)O.[x]

Molecular Formula

C21H43N5O7.xH2SO4

References & Citations

[1]Yao L, Zhang JW, Chen B, et al. Mechanisms and pharmacokinetic/pharmacodynamic profiles underlying the low nephrotoxicity and ototoxicity of etimicin. Acta Pharmacol Sin. 2020;41 (6) :866-878. |[2]Shao W, Zhong D, Jiang H, et al. A new aminoglycoside etimicin shows low nephrotoxicity and ototoxicity in zebrafish embryos. J Appl Toxicol. 2021;41 (7) :1063-1075.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Aminoglycoside

Chemical Information

Etimicin sulfate

CAS Number	362045-44-1
PubChem CID	72710734
IUPAC Name	(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
Molecular Formula	C21H45N5O11S
Molecular Weight	575.7
Topological Polar Surface Area	283
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	703

SMILES

CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N.OS(=O)(=O)O

InChI

InChI=1S/C21H43N5O7.H2O4S/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;1-5(2,3)4/h10-20,25-29H,4-9,22-24H2,1-3H3;(H2,1,2,3,4)/t10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,20+,21-;/m0./s1

InChIKey

OEBISAUVQBGQKC-ZIZSAZPJSA-N

Chemical Structure

2D Structure

CAS: 362045-44-1

CID: 72710734

Formula: C21H45N5O11S

MW: 575.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	575.7
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	575.28362844
Monoisotopic Mass	575.28362844
Topological Polar Surface Area	283 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	703
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19220528-01	Etimicin sulfate
RM-E202100-01	Etimicin
AR-E10680-01	Etimicin Sulphate
AR-E10681-01	Etimicin Impurity 1
AR-E10689-01	Etimicin-D5
AR-E10687-01	Etimicin Impurity 7
AR-E10686-01	Etimicin Impurity 6
AR-E10685-01	Etimicin Impurity 5
AR-E10684-01	Etimicin Impurity 4
AR-E10683-01	Etimicin Impurity 3

Etimicin (sulfate)

Chemical Information

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