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Obidoxime Chloride

CAT: 0572-TRC-O100000-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O100000-10GSize:10 g
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CAS Number
114-90-9
Synonyms
Pyridinium, 1,1'-[oxybis(methylene)]bis[4-[(hydroxyimino)methyl]-, chloride (1:2); 1,1'-(Oxydimethylene)bis[4-formylpyridinium chloride], dioxime (7CI); Pyridinium, 1,1'-(oxydimethylene)bis[4-formyl-, dichloride, dioxime (8CI); Pyridinium, 1,1'-[oxybis(methylene)]bis[4-[(hydroxyimino)methyl]-, dichloride (9CI); 1,1'-(oxydimethylene)bis[4-formylpyridinium] dichloride dioxime; BH 6; Bis(4-hydroxyiminomethylpyridiniummethyl) ether dichloride; Efosim; LuH6; LuH6-Cl2; LueH 6; Obidoxime chloride; Obidoxime hydrochloride; Toksobidin; Toxobidin; Toxogonin; Toxogonin dichloride; Toxogonine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[Cl-].[Cl-].O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1
Molecular Formula
C14 H16 N4 O3 . 2 Cl
Molecular Weight
359.21
InChI
InChI=1S/C14H14N4O3.2ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;;/h1-10H,11-12H2;2*1H
Additionnal Information
IUPAC name: (NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine;dichloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Toxogonin
CAS Number114-90-9
PubChem CID136402098
IUPAC Name(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine chloride
Molecular FormulaC14H16ClN4O3+
Molecular Weight323.75
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge1
Complexity303
SMILES
C1=C[N+](=CC=C1/C=N/O)COC[N+]2=CC=C(C=C2)/C=N/O.[Cl-]
InChI
InChI=1S/C14H14N4O3.ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20;/h1-10H,11-12H2;1H/p+1
InChIKey
HLZXCIREDCZMMH-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Toxogonin
CAS: 114-90-9
CID: 136402098
Formula: C14H16ClN4O3+
MW: 323.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.75
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass323.0910931
Monoisotopic Mass323.0910931
Topological Polar Surface Area82.2 Ų
Heavy Atom Count22
Formal Charge1
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
285965-01Obidoxime chloride
MBS6048504-01Obidoxime Chloride (1,1'[Oxybis(methylene)]-bis[4-(hydroxyimino)methyl]pyridinium Dichloride)
O5015Obidoxime Chloride (1,1’[Oxybis (methylene) ]-bis[4- (hydroxyimino) methyl]pyridinium Dichloride)
T16372-01Obidoxime dichloride
MBS5811329Obidoxime thiocyanate
MBS5783310Obidoxime iodide
HY-W011108-01Obidoxime (dichloride)
T33770-01Obidoxime sulfate
189775-01Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01TMA chloride-d12 (chloride)

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