Metronidazole EP Impurity C

CAT: 1299-RM-M140403-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M140403-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5006-69-9

Synonyms

2- (4-nitro-1H-imidazol-1-yl) ethan-1-ol

Molecular Formula

C5H7N3O3

Molecular Weight

157.13

Target Alternative Name

Metronidazole

Product Name Synonym

2- (4-nitro-1H-imidazol-1-yl) ethan-1-ol

Chemical Information

2-(4-nitro-1H-imidazol-1-yl)ethan-1-ol

CAS Number	5006-69-9
PubChem CID	2783816
IUPAC Name	2-(4-nitroimidazol-1-yl)ethanol
Molecular Formula	C5H7N3O3
Molecular Weight	157.13
XLogP	-1
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

C1=C(N=CN1CCO)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O3/c9-2-1-7-3-5(6-4-7)8(10)11/h3-4,9H,1-2H2

InChIKey

NIHGAGCAEFVICG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5006-69-9

CID: 2783816

Formula: C5H7N3O3

MW: 157.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.13
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	157.04874109
Monoisotopic Mass	157.04874109
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M140428-01	Metronidazole EP Impurity A; Tinidazole EP Impurity A
RM-M140402-01	Metronidazole EP Impurity B
RM-M140406-01	Metronidazole EP Impurity F
RM-M140404-01	Metronidazole EP Impurity D
RM-M140405-01	Metronidazole EP Impurity E
RM-M140407-01	Metronidazole EP Impurity G
RM-M140452-01	Metronidazole Impurity 52
RM-M140436-01	Metronidazole Impurity 36
RM-M140439-01	Metronidazole Impurity 39
RM-M140456-01	Metronidazole Impurity 56