O-Hydroxyethyl Metronidazole

CAT: 0024-sc-490602Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490602Size:5 mg

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CAS Number

16156-94-8

Chemical Information

2-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethoxy)ethanol

CAS Number	16156-94-8
PubChem CID	204324
IUPAC Name	2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethanol
Molecular Formula	C8H13N3O4
Molecular Weight	215.21
XLogP	-0.5
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	209

SMILES

CC1=NC=C(N1CCOCCO)[N+](=O)[O-]

InChI

InChI=1S/C8H13N3O4/c1-7-9-6-8(11(13)14)10(7)2-4-15-5-3-12/h6,12H,2-5H2,1H3

InChIKey

UGPDZGBXWBKFMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16156-94-8

CID: 204324

Formula: C8H13N3O4

MW: 215.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.21
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	215.09060590
Monoisotopic Mass	215.09060590
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	209
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
sc-204805A	Metronidazole
sc-204805	Metronidazole
sc-491555	3'-O- (β-Hydroxyethyl) diosmin
sc-491550	O- (2-Hydroxyethyl) Flupentixol Dihydrochloride
sc-484330	Metronidazole Acetate
sc-250408	Metronidazole-OH
sc-484552	Metronidazole-d4
sc-250408A	Metronidazole-OH
sc-491552	O- (2-Hydroxyethyl) Flupentixol-d4 Dihydrochloride
sc-487350	5- (2-Hydroxyethyl) amino-o-cresol

Catalog	Name
013792	O-Hydroxyethyl Metronidazole
AR-M01709-01	Metronidazole-O-Glucuronide
GC6083-5mg	Metronidazole O-β-D-glucuronide
B1976-5.1	Metronidazole