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147-52-4

147-52-4 structural image
Product Name: nafcillin
Formula: C21H22N2O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility Soluble
LogP 3.3
Stability/Shelf Life STABLE @ ROOM TEMP FOR 2-4 YR /DRY STATE/ DEPENDING ON DOSAGE FORM
Collision Cross Section 196.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

COMPUTED DESCRIPTORS

Molecular Weight 414.5 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 414.12494298 g/mol
Monoisotopic Mass 414.12494298 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 699
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Nafcillin is a penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a nafcillin(1-).