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CAS 112101-81-2 manufacturers and suppliers on PharmaCompass

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CAS 112101-81-2
Also known as: 112101-81-2, R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonamide, R-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide, 67x36a2xme
Molecular Formula
C10H16N2O3S
Molecular Weight
244.31  g/mol
InChI Key
IORITYIZDHJCGT-SSDOTTSWSA-N
FDA UNII
67X36A2XME

1 2D Structure

CAS 112101-81-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide
2.1.2 InChI
InChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
2.1.3 InChI Key
IORITYIZDHJCGT-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N
2.1.5 Isomeric SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N
2.2 Other Identifiers
2.2.1 UNII
67X36A2XME
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 112101-81-2

2. R-(-)-5-(2-amino-propyl)-2-methoxy-benzenesulfonamide

3. R-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide

4. (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide

5. 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide

6. 67x36a2xme

7. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-

8. (r)-5-(2-aminopropyl)-2-methoxy Benzene Sulfonamide

9. Benzenesulfonamide, 5-((2r)-2-aminopropyl)-2-methoxy-

10. Benzenesulfonamide, 5-(2-aminopropyl)-2-methoxy-, (r)-

11. R-(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzenesulfonamide

12. Unii-67x36a2xme

13. Schembl1412238

14. Dtxsid10920664

15. Amy25472

16. Mfcd07782137

17. Zinc21989067

18. Akos015900167

19. Ds-0700

20. Aminopropyl)-2-methoxybenzene Sulfonamide

21. Tamsulosin Hydrochloride Impurity B [ep]

22. A2233

23. R-5-(2-aminopropyl)-2-methoxybenzenesulfonamide

24. 101r812

25. 5-(2-aminopropyl)-2-methoxybenzene-1-sulfonamide

26. 2-methoxy-5-[(r)-2-aminopropyl]benzenesulfonamide

27. J-524215

28. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide

29. R-(-)-5-(2-amino-propyl)-2-methoxybenzenesulfonamide

30. Tamsulosin Hydrochloride Impurity B [ep Impurity]

31. (r)-(-)-5-(2-aminopropyl)-2-methoxy-benzenesulfonamide

32. R-(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzene Sulfonamide

33. Ra(-)-5-[2(2-amino-2-methyl)ethyl]-2-methoxybenzenesulfonamide

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 244.31 g/mol
Molecular Formula C10H16N2O3S
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass244.08816355 g/mol
Monoisotopic Mass244.08816355 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count16
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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