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Zilpaterol

CAT: 0572-TRC-Z430000-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z430000-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119520-05-7
Synonyms
Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-(±)-; RU 42173; Zilpaterol; trans-(±)-Zilpaterol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)N[C@@H]1CCN2C(=O)Nc3cccc([C@H]1O)c23
Molecular Formula
C14 H19 N3 O2
Molecular Weight
261.32
InChI
InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Zilpaterol

Zilpaterol is a benzazepine.

CAS Number119520-05-7
PubChem CID3086576
IUPAC Name(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Molecular FormulaC14H19N3O2
Molecular Weight261.32
XLogP0.5
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O
InChI
InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1
InChIKey
ZSTCZWJCLIRCOJ-DGCLKSJQSA-N
Chemical Structure
2D Structure
2D structure of Zilpaterol
CAS: 119520-05-7
CID: 3086576
Formula: C14H19N3O2
MW: 261.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.32
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass261.147726857
Monoisotopic Mass261.147726857
Topological Polar Surface Area64.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C3632-5Zilpaterol
80-1327Zilpaterol-HRP
CS-T-62833Zilpaterol-d7
CS-T-103592Zilpaterol-13C3
MBS5756476-01Zilpaterol hydrochloride
abx284033Zilpaterol (HRP)
20-1627Zilpaterol antibody
AR-Z01238-01Zilpaterol HCl

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