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Nafcillin

CAT: 1299-RM-N010300-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N010300-01Size:10 mg
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CAS Number
147-52-4
Synonyms
(2S,5R,6R) -6- (2-ethoxy-1-naphthamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula
C21H22N2O5S
Molecular Weight
414.47
Target Alternative Name
Nafcillin
Product Name Synonym
(2S,5R,6R) -6- (2-ethoxy-1-naphthamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Information

Nafcillin

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-).

CAS Number147-52-4
PubChem CID8982
IUPAC Name(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC21H22N2O5S
Molecular Weight414.5
XLogP2.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity699
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI
InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
InChIKey
GPXLMGHLHQJAGZ-JTDSTZFVSA-N
Chemical Structure
2D Structure
2D structure of Nafcillin
CAS: 147-52-4
CID: 8982
Formula: C21H22N2O5S
MW: 414.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass414.12494298
Monoisotopic Mass414.12494298
Topological Polar Surface Area121 Ų
Heavy Atom Count29
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
240836-01Nafcillin
534581Nafcillin sodium
574481Nafcillin sulfoxide
HY-B0555BNafcillin (sodium)

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