Avibactam free acid

CAT: 0931-T10422-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T10422-01Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1192500-31-4

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Purity

0.9917

Bioactivity

Avibactam free acid is a potent β-lactamase inhibitor exhibiting covalent and reversible properties, capable of inhibiting TEM-1, P99, and CTX-M-15 at nanomolar concentrations. Avibactam free acid and Ceftazidime may be combined for treating urinary tract infections.

Smiles

[H][C@]12CN([C@@H](CC1)C(N)=O)C(=O)N2OS(O)(=O)=O

Molecular Formula

C7H11N3O6S

Molecular Weight

265.24

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Avibactam

Avibactam is a member of the class of azabicycloalkanes that is (2S,5R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. Used (in the form of its sodium salt) in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis. It has a role as an antimicrobial agent, an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It is a monocarboxylic acid amide, a hydroxylamine O-sulfonic acid, an azabicycloalkane and a member of ureas. It is a conjugate acid of an avibactam(1-).

CAS Number	1192500-31-4
PubChem CID	9835049
IUPAC Name	[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Formula	C7H11N3O6S
Molecular Weight	265.25
XLogP	-1.8
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	457

SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N

InChI

InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1

InChIKey

NDCUAPJVLWFHHB-UHNVWZDZSA-N

Chemical Structure

2D Structure

CAS: 1192500-31-4

CID: 9835049

Formula: C7H11N3O6S

MW: 265.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	265.25
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	265.03685625
Monoisotopic Mass	265.03685625
Topological Polar Surface Area	139 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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