(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog No. :: ACGVAB076
CAS No. :: 56187-47-4
Molecular Formula :: C18H15Cl2N5O5S3
Molecular Weight :: 548.46

IUPAC Name:(6R,7R)-7-(2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure diagram

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Product Information

Product Name	(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name	(6R,7R)-7-(2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MDL No.	MFCD00864865
Molecular Formula	C18H15Cl2N5O5S3
Molecular Weight	548.46
SMILES	O=C(C(N12)=C(CSC3=NN=C(C)S3)CS[C@]2([H])[C@H](NC(CN(C=C4Cl)C=C(Cl)C4=O)=O)C1=O)O
InChI Key	VTLCNEGVSVJLDN-MLGOLLRUSA-N
Synonym	A936727 \| D07237 \| BRN 1097746 \| Cefazedone (sodium salt) \| UNII-7Y86X0D799 \| (6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridyl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid \| Refo
CAS No.	56187-47-4
PubChem CID	71736

Safety Data

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Signal Word: Danger
Hazard Statement(s): H302-H361-H410
Precautionary Statement(s): P273-P281

Synthetic Route by SureRoute

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(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Synthetic Route by SureRoute

1. ACGVAB076 Molecular Building Block Synthetic Route

2. ACGVAB076 Molecular Building Block Synthetic Route

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(6R,7R)-7-(2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Safety Data

Synthetic Route by SureRoute

sodium (6R,7S)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-pivalamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-7-[(2,2-dimethylpropanoyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Sodium (6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-7-(2-(3-(2-Aminoethoxy)phenyl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1)

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