Hydroxymedetomidine

CAT: 1596-AR-D01532-02Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-D01532-02Size:100 Units

Selected

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

Quick Request Actions

CAS Number

86347-12-8

Synonyms

1- (2,3-dimethylphenyl) -1- (1h-imidazol-5-yl) ethanoll) ; Medetomidine Hydroxy Impurity

Molecular Formula

C13H16N2O

Molecular Weight

216.28

API Name

Detomidine

Chemical Information

Hydroxymedetomidine

CAS Number	86347-12-8
PubChem CID	46935896
IUPAC Name	1-(2,3-dimethylphenyl)-1-(1H-imidazol-5-yl)ethanol
Molecular Formula	C13H16N2O
Molecular Weight	216.28
XLogP	1.8
Topological Polar Surface Area	48.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	246

SMILES

CC1=C(C(=CC=C1)C(C)(C2=CN=CN2)O)C

InChI

InChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(3,16)12-7-14-8-15-12/h4-8,16H,1-3H3,(H,14,15)

InChIKey

LBUFLYABQRDXQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86347-12-8

CID: 46935896

Formula: C13H16N2O

MW: 216.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.28
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	216.126263138
Monoisotopic Mass	216.126263138
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246
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
TRC-B280025-50MG	N-Benzyl Hydroxymedetomidine
RM-M042021-01	Medetomidine USP Related Compound B (N-Benzyl Hydroxymedetomidine)