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(6R,7R)-7-{[(2Z)-2-(2-Furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-({[(trichloroacetyl)carbamoyl]oxy}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 76598-06-6

(6R,7R)-7-{[(2Z)-2-(2-Furyl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-({[(trichloroacetyl)carbamoyl]oxy}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

Chemical_Structure_Of

CAS Number

76598-06-6

Molecular Formula

C18H15Cl3N4O9S

Molecular Weight

569.76 g/mol

Basic Physical Properties

Density

1.82±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.4E-3 g/L) (25 ºC),

SMILES

CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C18H15Cl3N4O9S/c1-32-24-9(8-3-2-4-33-8)12(26)22-10-13(27)25-11(15(28)29)7(6-35-14(10)25)5-34-17(31)23-16(30)18(19,20)21/h2-4,10,14H,5-6H2,1H3,(H,22,26)(H,28,29)(H,23,30,31)/b24-9-/t10-,14-/m1/s1

InChIKey

BGPGYDOAMAGXIO-HOYKSXRLSA-N

LogP

0.9917000000000002

Topological Polar Surface Area

176.84 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1000

Synonyms & References

English

Cefuroxime axetil impurity C [EP]
(6R,7R)-7-(((Z)-2-(Furan-2-yl)-2-(methoxyimino)acetyl)amino)-8-oxo-3-((((trichloroacetyl)carbamoyl)oxy)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
(6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-FURANYL(METHOXYIMINO)ACETYL)AMINO)-8-OXO-3-(((((TRICHLOROACETYL)AMINO)CARBONYL)OXY)METHYL)-, (6R-(6.ALPHA.,7.BETA.(Z)))-
UNII-Q2I223YL99
CEFUROXIME AXETIL IMPURITY C [EP IMPURITY]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-furanyl(methoxyimino)acetyl)amino)-8-oxo-3-(((((trichloroacetyl)amino)carbonyl)oxy)methyl)-, (6R-(6alpha,7beta(Z)))-
Q2I223YL99
DTXSID20227398
76598-06-6
CEFUROXIME SODIUM IMPURITY D [EP IMPURITY]
Cefuroxime axetil impurity C
N-(2,2,2-Trichloroacetyl)cefuroxime
Cefuroxime Axetil Impurity C
Cefuroxim Sodium impurity D
Cefuroxime Impurity D

MDL Number

MFCD31560096

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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