Medetomidine impurity 22

CAT: 0926-AQD24252-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-AQD24252-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2250242-52-3

Smiles

CC1=C (C (=CC=C1) C (C) C2=CN=CN2CC3=CC=CC=C3) C

Molecular Formula

C20H22N2

Molecular Weight

290.4 g/mol

Controlled

Yes

Chemical Information

N-Benzylmedetomidine

CAS Number	2250242-52-3
PubChem CID	59847166
IUPAC Name	1-benzyl-5-[1-(2,3-dimethylphenyl)ethyl]imidazole
Molecular Formula	C20H22N2
Molecular Weight	290.4
XLogP	4.6
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	337

SMILES

CC1=C(C(=CC=C1)C(C)C2=CN=CN2CC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2/c1-15-8-7-11-19(16(15)2)17(3)20-12-21-14-22(20)13-18-9-5-4-6-10-18/h4-12,14,17H,13H2,1-3H3

InChIKey

SKGQKRSBNBDWDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2250242-52-3

CID: 59847166

Formula: C20H22N2

MW: 290.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	290.178298710
Monoisotopic Mass	290.178298710
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AQD24356-01	Medetomidine impurity 23
FM45840-01	Medetomidine
FM25034-01	Medetomidine HCl
FH167022-01	Hydroxy medetomidine
FE167044-01	Ethyl medetomidine
FB167042-01	N-Benzyl Medetomidine
FN167045-01	N-Benzyl hydroxy medetomidine
GZA10183-01	Copo 22
EJA47653-01	EBE-A 22
GNB60571-01	MM-22