3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1), ≥98%, ≥98%

cas: 6130-64-9 — see every product listed under this CAS number, including other names

3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1), ≥98%, ≥98% (CAS 6130-64-9) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 100mg. Offered by: Chemat.

• 2D
• 3D

2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate (CAS 6130-64-9) is a chemical compound with the molecular formula C29H40N4O7S and a molecular weight of 588.7 g/mol. IUPAC name: 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate. InChIKey: KZDCMKVLEYCGQX-UDPGNSCCSA-N.

Identity

Molecular formula	C29H40N4O7S
Molecular weight	588.7 g/mol
IUPAC name	2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
InChIKey	KZDCMKVLEYCGQX-UDPGNSCCSA-N
SMILES	CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O

Computed by PubChem (NCBI)

Synonyms: Crysticillin, Duracillin, Bactracillin G, Penicillin G procaine [USP], Penicillin G procaine (USP), Procaine penicillin, Procaine penicillin G hydrate, Procaine penicillin G monohydrate, Penicillin G procaine hydrate, Procaine penicilline G hydrate

Isomers (same molecular formula)

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[[N'-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidoyl]amino]phenyl]propanoic acid C₂₉H₄₀N₄O₇S

3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propanoic acid C₂₉H₄₀N₄O₇S