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Niclosamide Ethanolamine Salt

CAT: 0572-TRC-N395505-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N395505-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1420-04-8
Synonyms
Salicylanilide, 2',5-dichloro-4'-nitro-, compd. with 2-aminoethanol (1:1) (8CI); Ethanol, 2-amino-, compd. with 2',5-dichloro-4'-nitrosalicylanilide (1:1) (8CI); Ethanol, 2-amino-, compd. with 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (1:1) (9CI); 2',5-Dichloro-4'-nitrosalicylanilide, 2-aminoethanol salt; BAY 6076; BAY 73; Bayer 6076; Bayer 73; Baylucit; Bayluscide; Clonitralid; Clonitralide; Clonitrilide; HL 2448; M 73; Mollutox; Niclosamide ethanolamine salt; Niclosamide-olamine; Phenasal ethanolamine salt; SR 73; Uccmaluscide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
NCCO.Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
Molecular Formula
C13 H8 Cl2 N2 O4 . C2 H7 N O
Molecular Weight
388.2
InChI
InChI=1S/C13H8Cl2N2O4.C2H7NO/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;3-1-2-4/h1-6,18H,(H,16,19);4H,1-3H2
Additionnal Information
IUPAC name: 2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Niclosamide ethanolamine salt

Clonitralid is a yellow solid. Insoluble in water. (NTP, 1992)

CAS Number1420-04-8
PubChem CID14992
IUPAC Name2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Molecular FormulaC15H15Cl2N3O5
Molecular Weight388.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity414
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N
InChI
InChI=1S/C13H8Cl2N2O4.C2H7NO/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;3-1-2-4/h1-6,18H,(H,16,19);4H,1-3H2
InChIKey
XYCDHXSQODHSLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Niclosamide ethanolamine salt
CAS: 1420-04-8
CID: 14992
Formula: C15H15Cl2N3O5
MW: 388.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass387.0388760
Monoisotopic Mass387.0388760
Topological Polar Surface Area141 Ų
Heavy Atom Count25
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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