PENICILLIN G HYDRABAMINE

Molecular Formula: C₅₈H₈₂N₄O₄S

InChI: InChI=1/C42H64N2.C16H18N2O4S/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;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/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t37u,38u,39-,40-,41+,42+;/m0./s1/f/h;17,21H

InChIKey: InChIKey=ONGBINGNKYUOFO-ANELAKCCDR
SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCNCC4(CCCC5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

Names:
    Compocillin
    EINECS 222-092-3
    Hydrabamine penicillin G
    N,N'-bis[[(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    Penicillin G compd. with N,N'-bis(dehydroabietyl)ethylenediamine (2:1)
    Penicillin G Hydrabamine [USAN]
    PENICILLIN G HYDRABAMINE
    3344-16-9
    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 (1R-(1alpha(1R*,4aS*,10aR*),4abeta,10aalpha))-N,N'-bis((1,2, 3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)-1,2-ethanediamine (2:1)
    4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-2S-(2-alpha,5-alpha,6-beta))-, compd. with (1R-(1-alpha(1R*,4aS*,10aR*),4a-beta,10a-alpha))-N,N'-bis((1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)-1,2-ethanediamine (2:1)

Registries:
    PubChem CID 18764
    PubChem ID 161750