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CAS 127627-69-4

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, along with its compound with N,N′-bis(phenylmethyl)-1,2-ethanediamine, is a complex chemical substance characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of an acetyloxy group suggests it may participate in esterification reactions, while the thiazole moiety indicates potential biological activity, possibly as an antimicrobial or antifungal agent. The compound's stereochemistry, denoted by the specific configuration at the chiral centers, may influence its pharmacological properties and interactions with biological targets. Additionally, the bis(phenylmethyl) moiety may enhance lipophilicity, affecting the compound's solubility and permeability. Overall, this substance is likely to exhibit significant biological activity, making it of interest in medicinal chemistry and drug development. Its complex structure and functional groups suggest a multifaceted role in potential therapeutic applications.
Formula:C16H20N2·2C16H17N5O7S2
InChI:InChI=1S/C16H17N5O7S2.C16H20N2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);1-10,17-18H,11-14H2/b20-9-;/t10-,14-;/m1./s1
InChI key:InChIKey=YEJLPZNKIDEYET-JUZDKLSSSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(N)SC3)=O)C2=O)(SCC1COC(C)=O)[H].C(NCCNCC1=CC=CC=C1)C2=CC=CC=C2
Synonyms:
  • Benzathine cefotaxime
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
  • 1,2-Ethanediamine, N,N′-bis(phenylmethyl)-, bis[[6R-[6α,7β(Z)]]-3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate]
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