Penicillin V benzathine

N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid)

CAS: 5928-84-7

Molecular Formula	`C48H56N6O10S2`
Molecular Weight	941.1 g/mol
Topological Polar Surface Area	267.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	17
Exact Mass	940.3499
Heavy Atoms	66
Complexity	718.0

Chemical Identifiers

CAS Number	5928-84-7
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2`
InChIKey	`BBTOYUUSUQNIIY-ANPZCEIESA-N`

📖 Product Overview

Penicillin V benzathine (CAS: 5928-84-7) is a chemical compound with molecular formula C48H56N6O10S2 and molecular weight 941.1 g/mol. Its IUPAC systematic name is N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid). Topological Polar Surface Area 267.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 17 Exact Mass 940.3499 Heavy Atoms 66 Complexity 718.0 InChI Key: BBTOYUUSUQNIIY-ANPZCEIESA-N. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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