benzylpenicillin benzathine

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

CAS: 1538-09-6

Molecular Formula	`C48H56N6O8S2`
Molecular Weight	909.1 g/mol
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	15
Exact Mass	908.3601
Heavy Atoms	64
Complexity	701.0

Chemical Identifiers

CAS Number	1538-09-6
SMILES	`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`
InChIKey	`BVGLIYRKPOITBQ-ANPZCEIESA-N`

📖 Product Overview

benzylpenicillin benzathine (CAS: 1538-09-6) is a chemical compound with molecular formula C48H56N6O8S2 and molecular weight 909.1 g/mol. Its IUPAC systematic name is N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid). Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 15 Exact Mass 908.3601 Heavy Atoms 64 Complexity 701.0 InChI Key: BVGLIYRKPOITBQ-ANPZCEIESA-N. SMILES: 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.

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