Ritodrine hydrochloride (JP17/USP)
Basic information
- CAS
23239-51-2- Standard SMILES
C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1.Cl- InChIKey
IDLSITKDRVDKRV-XHXSRVRCSA-N- Molecular formula
- C17H22ClNO3
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.1288213
Overview
Ritodrine hydrochloride is a primary amine.
Names & identifiers
- Preferred name
- Ritodrine hydrochloride (JP17/USP)
- IUPAC
- 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol;hydrochloride
- English name
- Ritodrine hydrochloride
- Molecular formula
- C17H22ClNO3
- Molecular weight
- 323.82
Names & synonyms
RefChem:1098138Ritodrine hydrochloride (JP17/USP)MFCD01657514MLS002153782DU21220 (hydrochloride)SMR001233166Prestwick_763Yutopar (TN)ritodrin-hydrochlorideNCGC00016773-01CAS-23239-51-2SCHEMBL122631
Show more names
utoparPre-PaYutopardu21220pre-parMiolenePremparUtemerinNSC 291565RITODRINE HCL
orb1225573orb1308635orb3025115DTXCID6025438CHEBI:32102MSK8053IDLSITKDRVDKRV-XHXSRVRCSA-NHMS1569E19
Database identifiers
- CAS
23239-51-2- PubChem CID
- 31728
- DTXSID
DTXSID8045438- ChEBI
CHEBI:32102
Properties
Computed structural properties
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Collision Cross Section166.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 192 · 192-196°C
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- λmax
- 284 nm · 284nm(MeOH)(lit.)
- Merck
- 14 · 14,8237
- Stability
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/C17H21NO3.ClH/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;1H/t12-,17-;/s3
- InChIKey
- IDLSITKDRVDKRV-TYIRTQGFNA-N
- SMILES
- C1(C=CC(O)=CC=1)[C@@H](O)[C@H](C)NCCC1=CC=C(O)C=C1.Cl |&1:7,9,r|
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DO6524000
- hs_code
- 2922504500
- Toxicity
- dog,LD50,intravenous,128mg/kg (128mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDSENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE,Kiso to Rinsho. Clinical Report. Vol. 18, Pg. 5704, 1984.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesA β2-Adrenergic agonist.
Usesantiprotozoal
UsesTocolytic
UsesA -Adrenergic agonist
General DescriptionRitodrine Hydrochloride is a potent tocolytic drug and a selective γ2-adrenoceptor agonist, widely used for the control of premature labor.
Additional notes
DefinitionChEBI: Ritodrine hydrochloride is a primary amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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