Quinacillin

CAT: 0931-T88073-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T88073-02Size:50 mg

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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 Number	1596-63-0
PubChem CID	92894
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 Formula	C18H16N4O6S
Molecular Weight	416.4
XLogP	1.4
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	761

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

CAS: 1596-63-0

CID: 92894

Formula: C18H16N4O6S

MW: 416.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.4
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	416.07905542
Monoisotopic Mass	416.07905542
Topological Polar Surface Area	175 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	761
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

Alternative Products

Catalog	Name
GTR19234144-01	Quinacillin

Quinacillin

Chemical Information

Alternative Products

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