Molecular Identity
Nafcillin
(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
PubChem CID: 8982
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-).
2D Structure
Properties
C21H22N2O5S
Molecular Formula
414.50
Molecular Weight
g/mol
414.1249
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
699
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)OIsomeric SMILES
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)OSynonyms(20)
nafcillin147-52-4NaphcillinNafcilinaNafcillineNafcillinumNafcilin-1(2-Ethoxy-1-naphthyl)penicillin(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(2-ethoxy-1-naphthalenyl)penicillinCHEBI:7447Penicillin, (2-ethoxy-1-naphthalenyl)-4CNZ27M7RVPenicillin, (2-ethoxy-1-naphthyl)-6-(2-ethoxy-1-naphthamido)penicillanic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nafcillin
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