Ternidazole hydrochloride

CAT: 0127-BUP21652Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21652Size:2 mg

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CAS Number

70028-95-4

Synonyms

Ternidazole HCl

MDL Number

MFCD01721389

Purity

=98%

Smiles

O=[N+]([O-])C1=CN=C(C)N1CCCO.Cl

Chemical Information

2-methyl-5-nitro-1H-imidazole-1-propanol monohydrochloride

CAS Number	70028-95-4
PubChem CID	149468
IUPAC Name	3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol;hydrochloride
Molecular Formula	C7H12ClN3O3
Molecular Weight	221.64
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	182

SMILES

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

InChI

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

InChIKey

PTXLKVODAFRGDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70028-95-4

CID: 149468

Formula: C7H12ClN3O3

MW: 221.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.64
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	221.0567189
Monoisotopic Mass	221.0567189
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	14
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-136436-01	Ternidazole (hydrochloride)
TRC-T116500-25MG	Ternidazole Hydrochloride
HY-136436R-01	Ternidazole (hydrochloride) (Standard)
HY-136436S-01	Ternidazole-d6 (hydrochloride)
TRC-T116502-1MG	Ternidazole-d6 Hydrochloride (>90%)
RM-T330000-01	Ternidazole
sc-474310	Ternidazole-d6
TRC-B233852-50MG	O-Benzyl Ternidazole-d6
300563	Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)
D3190-91G	Deoxynojirimycin Hydrochloride (DNJ Hydrochloride)