ritodrine   

GtoPdb Ligand ID: 7294

Synonyms: DU-21220 | Yutopar®
ritodrine is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Ritodrine is a tocolytic drug (ie an anti-contraction medication). Clinical use in the US has been discontinued.
Marketed formulations may contain ritodrine hydrochloride (PubChem CID 31728).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 72.72
Molecular weight 287.15
XLogP 2.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)CCNC(C(c1ccc(cc1)O)O)C
Isomeric SMILES Oc1ccc(cc1)CCN[C@H]([C@@H](c1ccc(cc1)O)O)C
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
InChI Key IOVGROKTTNBUGK-SJCJKPOMSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
Withdrawn drug? Yes
IUPAC Name
4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol
International Nonproprietary Names
INN number INN
2608 ritodrine
Synonyms
DU-21220 | Yutopar®
Database Links
CAS Registry No. 26652-09-5
ChEMBL Ligand CHEMBL785
DrugBank Ligand DB00867
GtoPdb PubChem SID 178103867
PubChem CID 33572
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Wikipedia Ritodrine