Metronidazole Acetate

CAT: 0572-TRC-M338885-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M338885-10MGSize:10 mg

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CAS Number

13182-82-6

Synonyms

O-Acetylmetronidazole; 2-Methyl-5-nitro-1H-imidazole-1-ethanol 1-Acetate; 2-Methyl-5-nitro-imidazole-1-ethanol Acetate

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

CC(=O)OCCn1c(C)ncc1[N+](=O)[O-]

Molecular Formula

C8H11N3O4

Molecular Weight

213.19

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Metronidazole acetate

CAS Number	13182-82-6
PubChem CID	83211
IUPAC Name	2-(2-methyl-5-nitroimidazol-1-yl)ethyl acetate
Molecular Formula	C8H11N3O4
Molecular Weight	213.19
XLogP	0.3
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	253

SMILES

CC1=NC=C(N1CCOC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4/c1-6-9-5-8(11(13)14)10(6)3-4-15-7(2)12/h5H,3-4H2,1-2H3

InChIKey

MQXDTGGRMOLAPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13182-82-6

CID: 83211

Formula: C8H11N3O4

MW: 213.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	213.19
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	213.07495584
Monoisotopic Mass	213.07495584
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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

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TRC-M978800-50MG	Metronidazole-d3
TRC-M338882-1MG	Metronidazole-d4
TRC-M978800-10MG	Metronidazole-d3
TRC-M338882-10MG	Metronidazole-d4
TRC-H948395-50MG	Hydroxy Metronidazole
TRC-M978800-100MG	Metronidazole-d3

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Catalog	Name
sc-484330	Metronidazole Acetate
B1976-10000	Metronidazole

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