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Quinacillin

CAT: 0931-T88073-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88073-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1596-63-0
Target
Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Quinacillin is a compound hydrolyzed by the enzyme penicillinase. It irreversibly binds covalently to proteins via its β-lactam carboxyl group.
Smiles
N(C(=O)C=1C(C(O)=O)=NC2=C(N1)C=CC=C2)[C@H]3[C@@]4(N(C3=O)[C@@H](C(O)=O)C(C)(C)S4)[H]
Molecular Formula
C18H16N4O6S
Molecular Weight
416.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinacillin

Quinacillin is a semisynthetic penicillase-resistant penicillin with antibacterial activity; it binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. It has a role as an antibacterial drug. It is a penicillin and a quinoxaline derivative.

CAS Number1596-63-0
PubChem CID92894
IUPAC Name(2S,5R,6R)-6-[(3-carboxyquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC18H16N4O6S
Molecular Weight416.4
XLogP1.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity761
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O)C
InChI
InChI=1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1
InChIKey
GPMSLJIYNWBYEL-TYNCELHUSA-N
Chemical Structure
2D Structure
2D structure of Quinacillin
CAS: 1596-63-0
CID: 92894
Formula: C18H16N4O6S
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass416.07905542
Monoisotopic Mass416.07905542
Topological Polar Surface Area175 Ų
Heavy Atom Count29
Formal Charge0
Complexity761
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
GTR19234144-01Quinacillin

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