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Nizatidine EP Impurity K

CAT: 1299-RM-N262011-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N262011-01Size:10 mg
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CAS Number
148639-72-9
Synonyms
3- (Methylamino) -5,6-dihydro-2H-1,4-thiazin-2-one oxime
Molecular Formula
C5H9N3OS
Molecular Weight
159.21
Target Alternative Name
Nizatidine
Product Name Synonym
3- (Methylamino) -5,6-dihydro-2H-1,4-thiazin-2-one oxime

Chemical Information

5,6-Dihydro-3-(methylamino)-2H-1,4-thiazin-2-one oxime
CAS Number148639-72-9
PubChem CID136229112
IUPAC NameN-(3-methyliminothiomorpholin-2-ylidene)hydroxylamine
Molecular FormulaC5H9N3OS
Molecular Weight159.21
XLogP0.6
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity178
SMILES
CN=C1C(=NO)SCCN1
InChI
InChI=1S/C5H9N3OS/c1-6-4-5(8-9)10-3-2-7-4/h9H,2-3H2,1H3,(H,6,7)
InChIKey
IFDRXBBBALHODS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dihydro-3-(methylamino)-2H-1,4-thiazin-2-one oxime
CAS: 148639-72-9
CID: 136229112
Formula: C5H9N3OS
MW: 159.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.21
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass159.04663309
Monoisotopic Mass159.04663309
Topological Polar Surface Area82.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-N262010-01Nizatidine EP Impurity J
RM-N262009-01Nizatidine EP Impurity I
RM-N262005-01Nizatidine EP Impurity E
RM-N262006-01Nizatidine EP Impurity F
RM-N262008-01Nizatidine EP Impurity H
RM-N262004-01Nizatidine EP Impurity D
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Alternative Products

CatalogName
AR-N01675-01Nizatidine Impurity A
HY-W077381-01Nizatidine impurity 1
AR-N08910-01Nizatidine Impurity 3
AR-N08909-01Nizatidine Impurity 2
AR-N01678-01Nizatidine EP Impurity E (Nizatidine Amide)
AR-N08911-01Nizatidine Impurity 4
CS-O-47735-10MGNizatidine Nitroso Impurity 2
CS-O-47736-10MGNizatidine Nitroso Impurity 1
AR-N08912-01Nizatidine EP Impurity E HCl (Nizatidine Amide HCl)
HY-W077381RNizatidine impurity 1 (Standard)

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