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Ritodrine Hydrochloride

Synopsis, Chemistry

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Also known as: 23239-51-2, Ritodrine hcl, Mls002153782, Ritodrinium, Nsc 291565, Smr001233166

Molecular Formula

C₁₇H₂₂ClNO₃

Molecular Weight

323.8 g/mol

InChI Key

IDLSITKDRVDKRV-XHXSRVRCSA-N

An adrenergic beta-2 agonist used to control PREMATURE LABOR.

1 2D Structure

Ritodrine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol;hydrochloride

2.1.2 InChI

InChI=1S/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-;/m0./s1

2.1.3 InChI Key

IDLSITKDRVDKRV-XHXSRVRCSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl

2.1.5 Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Du 21220

2. Du-21220

3. Du21220

4. Hydrochloride, Ritodrine

5. Pre Par

6. Pre-par

7. Prepar

8. Ritodrine

9. Yutopar

2.2.2 Depositor-Supplied Synonyms

1. 23239-51-2

2. Ritodrine Hcl

3. Mls002153782

4. Ritodrinium

5. Nsc 291565

6. Smr001233166

7. Prestwick_763

8. Yutopar (tn)

9. Mfcd01657514

10. Ritodrin-hydrochloride

11. Ncgc00016773-01

12. Cas-23239-51-2

13. Dsstox_cid_25438

14. Dsstox_rid_80879

15. Dsstox_gsid_45438

16. Schembl122631

17. Ritodrine Hydrochloride- Bio-x

18. Chembl1201160

19. Dtxsid8045438

20. Chebi:32102

21. Hms1569e19

22. Tox21_110603

23. Ritodrine Hydrochloride (jp17/usp)

24. Akos025117464

25. Ac-3536

26. Ccg-220349

27. As-12194

28. Br164351

29. D01263

30. T72119

31. 239r512

32. J-015046

33. Ritodrine Hydrochloride, British Pharmacopoeia (bp) Reference Standard

34. Ritodrine Hydrochloride, United States Pharmacopeia (usp) Reference Standard

35. 4-(2-(((1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)amino)ethyl)phenol Hydrochloride

36. 4-(2-((1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)phenol Hydrochloride

37. 4-[2-[[(1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol;hydrochloride

38. Ritodrine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₂ClNO₃
Molecular Weight	323.8 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	323.1288213 g/mol
Monoisotopic Mass	323.1288213 g/mol
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	284
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Adrenergic beta-2 Receptor Agonists

Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS. (See all compounds classified as Adrenergic beta-2 Receptor Agonists.)

Sympathomimetics

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)

Tocolytic Agents

Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete. (See all compounds classified as Tocolytic Agents.)