CAS 13074-31-2

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Also known as: Tetrahydropapaverine, 13074-31-2, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, Rac-nor laudanosine, (+/-)-tetrahydropapaverine

Molecular Formula

C₂₀H₂₅NO₄

Molecular Weight

343.4 g/mol

InChI Key

YXWQTVWJNHKSCC-UHFFFAOYSA-N

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is a natural product found in Glaucium flavum with data available.

1 2D Structure

CAS 13074-31-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

2.1.2 InChI

InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3

2.1.3 InChI Key

YXWQTVWJNHKSCC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tetrahydropapaverine

2. Tetrahydropapaverine Hydrochloride

2.2.2 Depositor-Supplied Synonyms

1. Tetrahydropapaverine

2. 13074-31-2

3. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

4. Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-

5. Rac-nor Laudanosine

6. (+/-)-tetrahydropapaverine

7. Tetrahydropapaverin

8. Einecs 235-968-5

9. Papaverine, 1,2,3,4-tetrahydro-

10. (+/-)-n-norlaudanosine

11. Timtec1_002724

12. Oprea1_802595

13. Mls006011806

14. Chembl160919

15. Schembl1076975

16. Dtxsid701018689

17. Hms1541l18

18. Kuc103648n

19. Albb-025297

20. Ccg-26031

21. Stk664098

22. Akos003335113

23. Ac-7467

24. Ncgc00163633-01

25. Ncgc00163633-02

26. Ncgc00163633-03

27. Smr001483237

28. Db-049924

29. Unm000011058001

30. A828340

31. Sr-01000639215

32. Sr-01000639215-3

33. 1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

34. 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline #

35. 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline

36. 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;r-tetrahydropapaverine

37. Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, Hydroiodide

2.3 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₅NO₄
Molecular Weight	343.4 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	343.17835828 g/mol
Monoisotopic Mass	343.17835828 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1