Retazillin

Molecular Formula: C93H111KN12O18S4


InChI: InChI=1/4C16H18N2O4S.C16H20N2.C13H20N2O2.K/c4*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h4*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;5-8H,3-4,9-10,14H2,1-2H3;/q;;;;;;+1/p-1/t4*11-,12+,14-;;;/m1111.../s1/f3C16H18N2O4S.C16H17N2O4S.C16H20N2.C13H20N2O2.K/h3*17,21H;17H;;;/q;;;-1;;;m

InChIKey: InChIKey=UWGHBOXQOJIGDX-ALZMCRLDDB
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.[K+]

Names:
    Bacillin 3
    Bicillin III
    Bicillin-3
    potassium; N,N'-dibenzylethane-1,2-diamine; 2-diethylaminoethyl 4-aminobenzoate; (2R,5R,6S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (2R,5R,6S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    Retacillin
    Retazillin
    12687-38-6
    4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1), mixt. with 2-(diethylamino)ethyl 4-aminobenzoate mono((2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate) and (2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monopotassium salt
    8067-92-3
    8072-44-4

Registries:
    PubChem CID 11979401
    PubChem ID 206615