Ternidazole

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CAS Number

1077-93-6

Synonyms

2-Methyl-5-nitro-1H-imidazole-1-propanol

Molecular Formula

C7H11N3O3

Molecular Weight

185.18

API Name

Ternidazole

Chemical Information

Ternidazole

Ternidazole is a small molecule drug. The usage of the INN stem '-nidazole' in the name indicates that Ternidazole is a antiprotozoal and radiosensitizer, metronidazole derivative. Ternidazole has a monoisotopic molecular weight of 185.08 Da.

CAS Number	1077-93-6
PubChem CID	68944
IUPAC Name	3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
Molecular Formula	C7H11N3O3
Molecular Weight	185.18
XLogP	-1.1
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CC1=NC=C(N1CCCO)[N+](=O)[O-]

InChI

InChI=1S/C7H11N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,11H,2-4H2,1H3

InChIKey

DUOHVNSMLSPTMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1077-93-6

CID: 68944

Formula: C7H11N3O3

MW: 185.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	185.18
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	185.08004122
Monoisotopic Mass	185.08004122
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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

Alternative Products

Catalog	Name
RM-T330000-01	Ternidazole
HY-136436-01	Ternidazole (hydrochloride)
TRC-T116500-25MG	Ternidazole Hydrochloride
sc-474310	Ternidazole-d6
HY-136436R-01	Ternidazole (hydrochloride) (Standard)
HY-136436S-01	Ternidazole-d6 (hydrochloride)
TRC-T116502-1MG	Ternidazole-d6 Hydrochloride (>90%)
TRC-B233852-50MG	O-Benzyl Ternidazole-d6

Ternidazole

Chemical Information

Alternative Products

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