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Carumonam Sodium

CAT: 0013-GTR19184153-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184153-01Size:25 mg
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Description
Carumonam Sodium is a synthetic monobactam antibiotic that inhibits bacterial penicillin-binding proteins (PBPs) . It is used in research to study antibacterial mechanisms and efficacy in both in vitro and in vivo models against Gram-negative infections.
CAS Number
86832-68-0
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
[O-]C (CO/N=C (C1=CSC (N) =N1) \C (N[C@H]2[C@H] (N (C2=O) S (=O) ([O-]) =O) COC (N) =O) =O) =O.[Na+].[Na+]
Molecular Formula
C12H12N6Na2O10S2
Molecular Weight
510.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carumonam Sodium

Carumonam sodium is the disodium salt of carumonam. It contains a carumonam(1-).

CAS Number86832-68-0
PubChem CID9568618
IUPAC Namedisodium;2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfonatoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetate
Molecular FormulaC12H12N6Na2O10S2
Molecular Weight510.4
Topological Polar Surface Area296
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity839
SMILES
C1=C(N=C(S1)N)/C(=N/OCC(=O)[O-])/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)[O-])COC(=O)N.[Na+].[Na+]
InChI
InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1
InChIKey
BGGXRVPCJUKHTQ-AHCAJXDVSA-L
Chemical Structure
2D Structure
2D structure of Carumonam Sodium
CAS: 86832-68-0
CID: 9568618
Formula: C12H12N6Na2O10S2
MW: 510.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass509.98517151
Monoisotopic Mass509.98517151
Topological Polar Surface Area296 Ų
Heavy Atom Count32
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T7723-01Carumonam Sodium
T20751-01Carumonam
HY-107328Carumonam (disodium)
AC29319Carumonam disodium
TRC-C184745-25MGCarumonam Disodium Salt
443995Carumonam Disodium Salt discontinued
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21121001Sodium caprylate- (Sodium octanoate)
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