3-Hydroxy Medetomidine

CAT: 0024-sc-476832Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-476832Size:2.5 mg

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CAS Number

128366-50-7

Chemical Information

3-Hydroxy Medetomidine

CAS Number	128366-50-7
PubChem CID	14950643
IUPAC Name	[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
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	3
Heavy Atom Count	16
Formal Charge	0
Complexity	222

SMILES

CC1=C(C=CC=C1C(C)C2=CN=CN2)CO

InChI

InChI=1S/C13H16N2O/c1-9-11(7-16)4-3-5-12(9)10(2)13-6-14-8-15-13/h3-6,8,10,16H,7H2,1-2H3,(H,14,15)

InChIKey

HTQCEFAVROSRIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128366-50-7

CID: 14950643

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	3
Exact Mass	216.126263138
Monoisotopic Mass	216.126263138
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	222
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
sc-471515	1‚Äô-Hydroxy N-Trityl Medetomidine
sc-204073	Medetomidine hydrochloride
sc-204073A	Medetomidine hydrochloride
sc-218679	Medetomidine-13C, d3 Hydrochloride
sc-266680	3-Hydroxy-3'-methoxyflavone
sc-226093	3-Hydroxy-3-methylbutyronitrile
sc-226094	3-Hydroxy-3-phenylpropionitrile
sc-216622	3′-Hydroxy Simvastatin
sc-209591	3-Hydroxy Carbamazepine
sc-488677	3-Hydroxy sertraline

Catalog	Name
TRC-H946770-2.5MG	3-Hydroxy Medetomidine
AR-D01545-01	Hydroxy Medetomidine
FN167045-01	N-Benzyl hydroxy medetomidine
TRC-H974400-100MG	1’-Hydroxy N-Trityl Medetomidine
279165-01	1'-Hydroxy N-trityl medetomidine
411558-01	1’-Hydroxy N-Trityl Medetomidine-d3
A3592-5.1	Medetomidine