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CAS 6130-64-9

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1) is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. The presence of a carboxylic acid functional group contributes to its acidity and potential reactivity, while the dimethyl and phenylacetyl substituents enhance its pharmacological properties. This compound is likely to exhibit significant biological activity, potentially serving as a pharmaceutical agent due to its structural features that may interact with biological targets. The hydrate form indicates the presence of water molecules in the crystal structure, which can influence solubility and stability. The compound's CAS number, 6130-64-9, allows for precise identification in chemical databases. Overall, this substance represents a unique combination of structural elements that may be of interest in medicinal chemistry and drug development.
Formula:C29H40N4O7S
InChI:InChI=1/C16H18N2O4S.C13H20N2O2.2H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;2*1H2/t11-,12+,14-;;;/m1.../s1
InChI key:InChIKey=KZDCMKVLEYCGQX-UDPGNSCCSA-N
SMILES:C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H].C(OCCN(CC)CC)(=O)C1=CC=C(N)C=C1.O
Synonyms:
  • (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-diethylaminoethyl 4-aminobenzoate hydrate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with 2-(diethylamino)ethyl p-aminobenzoate (1:1), monohydrate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate (1:1), monohydrate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate (1:1), monohydrate
  • Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, mono[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate], monohydrate
  • Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, mono[[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate], monohydrate
  • Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, mono[3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate], monohydrate
  • Benzylpenicillin procaine monohydrate
  • Penicillin G Procaine
  • See more synonyms
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