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Ritodrine

CAT: 0013-GTR19187896-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187896-03Size:100 mg
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Description
Ritodrine is a β-adrenergic agonist used as a uterine relaxant in research. It is applied in studies of preterm labor, investigating tocolytic mechanisms in both in vitro tissue models and in vivo preclinical settings.
CAS Number
26652-09-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] ([C@H] (NCCC1=CC=C (O) C=C1) C) (O) C2=CC=C (O) C=C2
Molecular Formula
C17H21NO3
Molecular Weight
287.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ritodrine

Adrenergic beta-agonist used to control premature labor.

CAS Number26652-09-5
PubChem CID33572
IUPAC Name4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
Molecular FormulaC17H21NO3
Molecular Weight287.35
XLogP2.3
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity284
SMILES
C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
InChIKey
IOVGROKTTNBUGK-SJCJKPOMSA-N
Chemical Structure
2D Structure
2D structure of Ritodrine
CAS: 26652-09-5
CID: 33572
Formula: C17H21NO3
MW: 287.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.35
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass287.15214353
Monoisotopic Mass287.15214353
Topological Polar Surface Area72.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity284
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

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