3D Mol Similar

Erythromycin thiocyanate

: 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-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;thiocyanic acid; CAS No.: 7704-67-8; Molecular Weight：793.023; Modify Date.: 2022-11-29 03:53; Introduction: Antibiotic medicines, For the treatment Infections caused by penicillin-resistant staphylococcus and streptococcus etc. View more+

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1. Names and Identifiers

: 1.1 Name; Erythromycin thiocyanate; 1.2 Synonyms; ERTHROMYCIN THIOCYANATE ErythroMicyn thiocyanate erythromycin A thiocyanate erythromycin thiocyanante ErythroMycin Thiocyanate CGMP ERYTHROMYCIN THIOCYANATE CP2000 ERYTHROMYCIN THIOCYANATE NOT LESS THAN 750 U OF ERYFHROMYCIN PER MG erythromycin thiocynante ERYTHROMYCIN THIOCYNATE Erythromycin, thiocyanate (salt); View all

1.3 CAS No.: 7704-67-8

1.4 CID: 83938

1.5 EINECS(EC#): 231-723-1

1.6 Molecular Formula: C38H68N2O13S (isomer)

1.7 Inchi: InChI=1S/C37H67NO13.CHNS/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1

1.8 InChIkey: WVRRTEYLDPNZHR-YZPBMOCRSA-N

1.9 Canonical Smiles: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C(#N)S

1.10 Isomers 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)O)C)C)O)(C)O.C(#N)S

2. Properties

2.1 Melting point: 165-167°C

2.1 Boiling point: 818.4 °C at 760 mmHg

2.1 Flash Point: 448.8 °C

2.1 Precise Quality: 792.44400

2.1 PSA: 256.50000

2.1 logP: 2.18288

2.1 Chemical Properties: White or almost white powder.

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria by 1 of 45 companies. For more detailed information, please visit ECHA C&L website

Of the 2 notification(s) provided by 44 of 45 companies with hazard statement code(s):

H319 (97.73%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P305+P351+P338, P33, and P313; View all

3.2 Usage: Antibiotic medicines, For the treatment Infections caused by penicillin-resistant staphylococcus and streptococcus etc.

4. Safety and Handling

4.1 Hazard Declaration: H319

4.1 Caution Statement: P264, P280, P305+P351+P338, P33, P313

4.1 Specification: ?Erythromycin thiocyanate , its cas register number is 7704-67-8. It also can be called Erythromycin, thiocyanate (salt) .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H317 May cause an allergic skin reaction H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P284 [In case of inadequate ventilation] wear respiratory protection. P273 Avoid release to the environment.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/... P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

Predict 1H proton NMR

7. Synthesis Route

7704-67-8Total: 1 Synthesis Route

540-72-7 309 Suppliers

114-07-8 356 Suppliers

7704-67-8 304 Suppliers

Literatures:
EP2301945 A1, ; Page/Page column 10 ;
Yield: null

8. Precursor and Product

precursor:

114-07-8

540-72-7

9. Other Information

9.0 靶点: Bacterial; RNA-dependent protein synthesis

9.1 体外研究: Erythromycin inhibits growth of P. falciparum with IC ₅₀ and IC ₉₀ values of 58.2 μM and 104.0 μM, respectively.

9.2 Macrolide antibiotics: Thiocyanate thiocyanate is the thiocyanate of commonly used macrolide antibiotic erythromycin. It is a veterinary product for the treatment of gram-positive bacteria and mycoplasma infections, and has been widely used as an "animal growth promoters" in a foreign country. In China together with tylosin, tetracycline and oxytetracycline, they are the largest exported veterinary antibiotics products. In addition the product is used as an important intermediate in the synthesis of mainstream macrolide antibiotics product, for example erythromycin, roxithromycin, azithromycin and clarithromycin. China began the production of erythromycin thiocyanate in 1980s-1990s, but the yield was less than 100 tons. By 2007 it became the largest exported macrolide antibiotic with production capacity more than 10,000 tons. The antibacterial spectrum of erythromycin thiocyanate is similar to that of benzylpenicillin. It has strong effect to staphylococcus aureus, streptococcus and pneumoniae bacteria in gram-positive bacteria, and also has some effect to pasteurella and brucella in gram-negative bacteria. In addition to that, the product is effective to mycoplasma, rickettsia, leptospira, actinomycetes and ardia, but non-effective to echerichia coli, salmonella spp and other intestinal negative bacteria. It is mainly used for serious infections caused by drug-resistant Staphylococcus aureus and hemolytic streptococcus, such as pneumonia, septicemia, endometritis and mastitis etc. Besides it also has good effect on mycoplasma-caused chronic respiratory disease in poultry and swine mycoplasma pneumonia. Moreover it is also used for nocardiosis treatment of dogs and cats, for prevention of white head and mouth disease of black, grass, bighead carp and other fish species, bacterial gill disease of grass and black carp, white fish disease of silver, bighead carp and other fish, and streptococcus disease of tilapia.; View all

9.3 Uses: Antibiotic medicines, For the treatment Infections caused by penicillin-resistant staphylococcus and streptococcus etc.

9.4 Chemical Properties: White or almost white powder.

9.5 Uses: Food additive; drug (veterinary).

9.6 Use Classification: Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

10. Computational chemical data

Molecular Weight: 793.023g/mol
Molecular Formula: C₃₈H₆₈N₂O₁₃S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 792.44421140
Monoisotopic Mass: 792.44421140
Complexity: 1210
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 16
Topological Polar Surface Area: 219
Heavy Atom Count: 54
Defined Atom Stereocenter Count: 18
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADcfB/PABAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgQACAAADXzxgAcCCAMABgQYAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What is Erythromycin Thiocyanate and How Does it Work? Jun 23 2023
Erythromycin thiocyanate is the latest generation of animal-specific macrolide antibiotics, which is the thiocyanate salt of erythromycin. It primarily works by inhibiting bacterial transpeptidation, ..
What is the role of Erythromycin thiocyanate in the production of macrolide antibiotics? Mar 25 2023
Erythromycin thiocyanate plays an irreplaceable role as the precursor for the production of macrolide antibiotics. It is mainly used for the synthesis of derivatives of erythromycin, clarithromycin, a..
Is Erythromycin Thiocyanate as Effective as Penicillin? What Are Its Benefits and Uses? Aug 01 2021
Erythromycin thiocyanate is highly effective against bacteria and shares some similarities with penicillin. Many people compare these two products, although they have similar names, they are not the ..
What is Erythromycin Thiocyanate and How is it Used? Jan 24 2021
Erythromycin Thiocyanate is the thiocyanate salt of erythromycin. Each 1 mg of the dried substance should have an activity of no less than 750 units of erythromycin. Appearance It appears as white or ..

12. Recommended Suppliers

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Time: 2023/10/03

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