(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (1:1)

Basic Information

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CAS Number

103980-44-5

Molecular Formula

C19H18ClN5O7S3

Molecular Weight

560.04 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

>190°C (dec.)

Boiling Point

814.1°C at 760 mmHg

SMILES

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CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O.Cl

InChI

InChI=1S/C19H17N5O7S3.ClH/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);1H/b23-11-;/t12-,16-;/m1./s1

InChIKey

KEQFDTJEEQKVLM-JUODUXDSSA-N

LogP

1.4028000000000003

Topological Polar Surface Area

177.42 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

945

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

103980-44-5
SpectramastLC
UNII-6822A07436
CS-W019858
D03430
6822A07436
Ceftiofur hydrochloride 100 microg/mL in Methanol
CEFTIOFUR HYDROCHLORIDE (MART.)
Excenel Sterile Suspension, Excenel RTU, Excenel Sterile Powder
(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), monohydrochloride
J-523051
J-001081
Ceftiofur Hydrochloride [USAN]
GS-3560
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-3-(((2-FURANYLCARBONYL)THIO)METHYL)-8-OXO-, MONOHYDROCHLORIDE, (6R-(6.ALPHA.,7.BETA.(Z)))-
EXCENEL RTU EZ
Ceftiofur hydrochloride
U 64279A
CEFTIOFUR HYDROCHLORIDE [MART.]
Ceftiofur hydrochloride (USAN)
N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenylsulfonyl)-2,2-dimethylpropanamide
Spectramast LC Sterile Suspension
CEFTIOFUR HYDROCHLORIDE, United States Pharmacopeia (USP) Reference Standard
Cefenil RTU
U-67279A
MFCD04038020
CHEMBL2106486
DTXSID101034300
CEFTIOFUR HYDROCHLORIDE (USP MONOGRAPH)
U 67279A
HY-B0026

MDL Number

MFCD30187701

Customs Code

2941905990

FAQ

What is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (1:1) (CAS: 103980-44-5)?

This compound, with the CAS number 103980-44-5, is a complex organic molecule containing a bicyclic ring system, a thiazole group, and a furoylsulfanyl moiety. It is a hydrochloride salt, indicating it is the protonated form of an amine. Its molecular structure suggests potential applications in pharmaceutical research, particularly in the development of antibiotics or antimicrobial agents.

What are the main uses of (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (1:1) (CAS: 103980-44-5)?

This compound is primarily used in pharmaceutical research for its potential antimicrobial properties. It may also find application in the development of novel antibiotics due to its structural features, which include a thiazole ring and a furoylsulfanyl group. Its use in industrial or food sectors is limited, and it is mainly of interest in drug discovery and medicinal chemistry.

Is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (1:1) (CAS: 103980-44-5) safe?

Safety data for this compound is limited, but as a hydrochloride salt, it may have potential irritant properties. Precautions should be taken during handling, including the use of gloves and eye protection. It is recommended to follow standard laboratory safety protocols and consult specific safety data sheets (SDS) for detailed information on toxicity and exposure limits.

How should (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (1:1) (CAS: 103980-44-5) be stored?

This compound should be stored in a cool, dry place away from light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Humidity should be controlled to prevent degradation, and it should be stored in a well-ventilated area to avoid any potential chemical interactions.