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phenoxymethylpenicillin benzathine

Properties

Image

Occurences in reactions

MNX_ID

MNXM107630

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₈H₅₆N₆O₁₀S₂

charge

mass

940.34993

reference

chebi:31973

InChIKey

BBTOYUUSUQNIIY-ANPZCEIESA-N

InChI

InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].c1ccc(C[NH2+]CC[NH2+]Cc2ccccc2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31973 chebi:31973	phenoxymethylpenicillin benzathine DBED-penicillin V N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6beta-(phenoxyacetamido)penam-3alpha-carboxylate} benzathine penicillin V benzathine phenoxymethylpenicillin benzathine-penicillin V (1:2) dibenzylethylenediamine-penicillin V penicillin V benzathine
CHEBI:95334 chebi:95334	N,N'-bis(phenylmethyl)ethane-1,2-diamine (5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
kegg.drug:D02405 keggD:D02405	Penicillin V benzathine (USP)
keggD:M_D02405	secondary/obsolete/fantasy identifier