(1) penethamate hydriodide

2-(diethylamino)ethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS: 7778-19-0

Molecular Formula	`C22H31N3O4S`
Molecular Weight	433.6 g/mol
LogP	2.9
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	433.20352
Heavy Atoms	30
Complexity	646.0

Chemical Identifiers

CAS Number	7778-19-0
SMILES	`CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C`
InChIKey	`AFKRZUUZFWTBCC-UHFFFAOYSA-N`

📖 Product Overview

(1) penethamate hydriodide (CAS: 7778-19-0) is a chemical compound with molecular formula C22H31N3O4S and molecular weight 433.6 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. LogP 2.9 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 433.20352 Heavy Atoms 30 Complexity 646.0 InChI Key: AFKRZUUZFWTBCC-UHFFFAOYSA-N. SMILES: CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.

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