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(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Compound number:
MolPort-020-001-398
CAS number: 103980-44-5; 104010-37-9; 80370-57-6
IUPAC:
(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC traditional:
ceftiofur
SMILES:
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C(O)=O)c1csc(N)n1 |c:21|
InChI key:
ZBHXIWJRIFEVQY-IHMPYVIRSA-N
Molecular formula:
C19H17N5O7S3
Molecular weight: 523.55

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: this week In warehouse: Unverified Salt: free base
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25 mg April 1, 2019 114.00 USD
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S&H to USA: 60.00 USD
S&H to World: 80.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 99%
Last updated: last week In warehouse: Unverified
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100 mg April 4, 2019 152.00 USD
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500 mg April 4, 2019 502.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-020-001-398
CAS number: 103980-44-5; 104010-37-9; 80370-57-6

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004215267
MFCD00864953
(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[[2-furanyl(oxo)methyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(furan-2-ylcarbonylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((furan-2-carbonyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Ceftiofur
Ceftiofur HCl
Ceftiofur Sodium

InChI
InChI: 1S/C19H17N5O7S3/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)/b23-11-/t12-,16-/m1/s1
InChI key: ZBHXIWJRIFEVQY-IHMPYVIRSA-N

Calculated Properties
Molecular formula: C19H17N5O7S3
Molecular weight: 523.55

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2018 MolPort, v2.66, release date 05-03-2019 15:00 (+0200). All rights reserved.
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