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Durlobactam

CAT: 1596-AR-D06141-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-D06141-05Size:150
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CAS Number
1467829-71-5
Synonyms
(1R,2S,5R) -2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl hydrogen sulfate
Molecular Formula
C8H11N3O6S
Molecular Weight
277.04
API Name
Durlobactam

Chemical Information

Durlobactam

Durlobactam is a member of the class of azabicycloalkanes that is (1R,2S,5R)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. It has a role as an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It is a primary carboxamide, a monocarboxylic acid amide, a hydroxylamine O-sulfonic acid and an azabicycloalkane. It is a conjugate acid of a durlobactam(1-).

CAS Number1467829-71-5
PubChem CID89851852
IUPAC Name[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] hydrogen sulfate
Molecular FormulaC8H11N3O6S
Molecular Weight277.26
XLogP-2
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity536
SMILES
CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)O
InChI
InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6+/m1/s1
InChIKey
BISPBXFUKNXOQY-RITPCOANSA-N
Chemical Structure
2D Structure
2D structure of Durlobactam
CAS: 1467829-71-5
CID: 89851852
Formula: C8H11N3O6S
MW: 277.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.26
XLogP3-2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass277.03685625
Monoisotopic Mass277.03685625
Topological Polar Surface Area139 Ų
Heavy Atom Count18
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3602004-01Durlobactam
HY-117974-01Durlobactam (sodium)
MBS3846501-01Durlobactam sodium
GTR19213516-01Durlobactam Triethylamine
BUP01771Durlobactam sodium salt
A13801-100Durlobactam sodium 100mg
A13801-50Durlobactam sodium 50mg
A13801-25Durlobactam sodium 25mg
A13801-10Durlobactam sodium 10mg
A13801-5Durlobactam sodium 5mg

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