Metonitazene

CAT: 0926-PAA68051-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-PAA68051-02Size:5 mg

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CAS Number

14680-51-4

Smiles

CCN (CC) CCN1C2=C (C=C (C=C2) [N+] (=O) [O-]) N=C1CC3=CC=C (C=C3) OC

Molecular Formula

C21H26N4O3

Molecular Weight

382.5 g/mol

Controlled

Yes

Chemical Information

Metonitazene

Metonitazene is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl, 4-methoxybenzyl, and nitro groups at positions 1, 2, and 5, respectively. It is a synthetic opioid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of benzimidazoles, a monomethoxybenzene, a C-nitro compound and a tertiary amino compound.

CAS Number	14680-51-4
PubChem CID	53316366
IUPAC Name	N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
Molecular Formula	C21H26N4O3
Molecular Weight	382.5
XLogP	3.9
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	489

SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4O3/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3

InChIKey

HNGZTLMRQTVPBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14680-51-4

CID: 53316366

Formula: C21H26N4O3

MW: 382.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	382.5
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	382.20049070
Monoisotopic Mass	382.20049070
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	489
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
TRC-M257635-5MG	Metonitazene
TRC-P433460-10MG	N-Pyrrolidino Metonitazene
HY-170013S	N-Pyrrolidino Metonitazene-d3 (citrate)

Metonitazene

Chemical Information

Alternative Products

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