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Netobimin

CAT: 0931-T89851-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89851-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88255-01-0
Target
Others
Related Pathways
Others
Bioactivity
Netobimin is an anthelmintic effective against naturally acquired gastrointestinal nematodes in cows.
Smiles
O=C(NC(NCCS(=O)(O)=O)=NC1=CC(SCCC)=CC=C1[N+]([O-])=O)OC
Molecular Formula
C14H20N4O7S2
Molecular Weight
420.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Netobimin

Netobimin is a small molecule drug. Netobimin has a monoisotopic molecular weight of 420.08 Da.

CAS Number88255-01-0
PubChem CID71449
IUPAC Name2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid
Molecular FormulaC14H20N4O7S2
Molecular Weight420.5
XLogP1.9
Topological Polar Surface Area197
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity630
SMILES
CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NCCS(=O)(=O)O)NC(=O)OC
InChI
InChI=1S/C14H20N4O7S2/c1-3-7-26-10-4-5-12(18(20)21)11(9-10)16-13(17-14(19)25-2)15-6-8-27(22,23)24/h4-5,9H,3,6-8H2,1-2H3,(H,22,23,24)(H2,15,16,17,19)
InChIKey
WCBVUETZRWGIJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Netobimin
CAS: 88255-01-0
CID: 71449
Formula: C14H20N4O7S2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass420.07734134
Monoisotopic Mass420.07734134
Topological Polar Surface Area197 Ų
Heavy Atom Count27
Formal Charge0
Complexity630
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

Alternative Products

CatalogName
285121-01Netobimin
TRC-N390900-100MGNetobimin Sodium Salt
RM-N052001-01Netobimin Impurity 1

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