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Carnidazole

CAT: 0931-T20535-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20535-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42116-76-7
Target
Antibiotic, Parasite
Related Pathways
Microbiology/Virology
Purity
0.9981
Bioactivity
Carnidazole (ME-108) shows antiprotozoal activity and can be used in studies about the treatment of Trichomonas infection.
Smiles
C(CNC(OC)=S)N1C(N(=O)=O)=CN=C1C
Molecular Formula
C8H12N4O3S
Molecular Weight
244.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Carnidazole

Carnidazole is a member of imidazoles and a C-nitro compound.

CAS Number42116-76-7
PubChem CID3032998
IUPAC NameO-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate
Molecular FormulaC8H12N4O3S
Molecular Weight244.27
XLogP1.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)
InChIKey
OVEVHVURWWTPFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carnidazole
CAS: 42116-76-7
CID: 3032998
Formula: C8H12N4O3S
MW: 244.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.27
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass244.06301143
Monoisotopic Mass244.06301143
Topological Polar Surface Area117 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T0952-01Carbimazole

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CatalogName
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461027Carnidazole (free base)

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