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Taniborbactam

CAT: 1410-M12338-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M12338-04Size:100 mg
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Description
Taniborbactam is a novel beta-lactamase inhibitor for the treatment of bacterial infections.
CAS Number
1613267-49-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
389.259
Molecular Formula
C19H28BN3O5
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Taniborbactam

See also: Taniborbactam (annotation moved to).

CAS Number1613267-49-4
PubChem CID76902493
IUPAC Name(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Molecular FormulaC19H28BN3O5
Molecular Weight389.3
Topological Polar Surface Area134
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity544
SMILES
B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
InChI
InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m0/s1
InChIKey
PFZUWUXKQPRWAL-PXCJXSSVSA-N
Chemical Structure
2D Structure
2D structure of Taniborbactam
CAS: 1613267-49-4
CID: 76902493
Formula: C19H28BN3O5
MW: 389.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass389.2122012
Monoisotopic Mass389.2122012
Topological Polar Surface Area134 Ų
Heavy Atom Count28
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T13077L-01Taniborbactam
HY-109124A-01Taniborbactam (hydrochloride)
A20232-1Taniborbactam 1mg
MBS5767696-01Taniborbactam hydrochloride
A20232-5Taniborbactam 5mg
A20232-10Taniborbactam 10mg
GTR19213359Taniborbactam (VNRX-5133)

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