CAS 33276-75-4

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)

Description:

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1) is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its potential acidity and reactivity. The presence of the amino group suggests that it may participate in various biochemical interactions, potentially acting as a ligand or a substrate in enzymatic reactions. The compound's stereochemistry, indicated by the (2S,5R,6R) configuration, implies specific spatial arrangements that can influence its biological activity and interactions with other molecules. Additionally, the bis(phenylmethyl) moiety indicates a bulky substituent that may affect the compound's solubility and binding properties. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.

Formula: C₁₆H₂₀N₂·2C₁₆H₁₉N₃O₄S

InChI: InChI=1S/C16H19N3O4S.C16H20N2/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-10,17-18H,11-14H2/t9-,10-,11+,14-;/m1./s1

InChI key: InChIKey=KEFVXSMHHWVCSO-YWUHCJSESA-N

SMILES: C(NCCNCC1=CC=CC=C1)C2=CC=CC=C2.C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H]

Synonyms:

• (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - N,N'-dibenzylethane-1,2-diamine (2:1)
• 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, bis((2S-(2alpha,5alpha,6beta(S*)))-6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)
• 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)
• 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-, compd with N,N'-bis(phenylmethyl)-1,2- ethanediamine (2:1)
• 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, compd with N,N'-dibenzylethylenediamine (2:1), D-(-)-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, compd. with N,N′-dibenzylethylenediamine (2:1), <span class="text-smallcaps">D</span>-(-)-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
• Ampicillin N,N'-dibenzylethylenediamine salt
• Ampicillin benzathine
• Benzathine ampicillin
• Benzathine ampicillin (1:2)
• N,N'-Dibenzylethylenediammonio (2S-(2alpha,5alpha,6beta(S*)))-bis(6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)

Ampicillin Benzathine

CAS: 33276-75-4

Formula: C₁₇H₂₀N₂O₄SC₁₆H₂₀N₂

Molecular weight: 348.42 1/2*240.35

Ref: 4Z-A-6630

Benzathine Ampicillin

Controlled Product

CAS: 33276-75-4

Stability Hygroscopic
Applications Benzathine Ampicillin is an impurity of Ampiicillin(A634300) which is an orally active, semi-synthetic antibiotic; structurally related to penicillin. Antibacterial.
References Ivashkiv, E., et al.: Anal. Profiles Drug Subs., 2, 1 (1973), Campoli-Richards, D.M., et al.: Drugs, 33, 577 (1987), Sill, M. L., et al.: Antimicrob. Agents Chemother., 52, 1551 (2008),

Formula: C₁₆H₂₀N₂·2(C₁₆H₁₉N₃O₄S)

Color and Shape: Neat

Molecular weight: 240.34 + 2(349.40)

Ref: TR-B356620

Benzathine ampicillin

CAS: 33276-75-4

Benzathine ampicillin is a penicillin antibiotic that belongs to the group of β-lactam antibiotics. It is used as an analytical reference standard in the pharmaceutical industry, and is also used as a high purity API impurity. Benzathine ampicillin has been shown to be metabolized by liver enzymes into penicillin G and 6-aminopenicillanic acid. The pharmacopoeia requires that benzathine ampicillin be at least 98% pure for its use in drug products.

Formula: C₄₈H₅₈N₈O₈S₂

Purity: Min. 95%

Molecular weight: 939.20 g/mol

Ref: 3D-IBA27675