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Also known as: 54417-53-7, R-tetrahydropapaverine hcl, (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride, (r)-(-)-norlaudanosine hydrochloride, (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hcl, (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Molecular Formula
C20H26ClNO4
Molecular Weight
379.9  g/mol
InChI Key
VMPLLPIDRGXFTQ-PKLMIRHRSA-N

CAS 54417-52-6
1 2D Structure

CAS 54417-52-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
2.1.2 InChI
InChI=1S/C20H25NO4.ClH/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;1H/t16-;/m1./s1
2.1.3 InChI Key
VMPLLPIDRGXFTQ-PKLMIRHRSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
2.1.5 Isomeric SMILES
COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54417-53-7

2. R-tetrahydropapaverine Hcl

3. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hydrochloride

4. (r)-(-)-norlaudanosine Hydrochloride

5. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hcl

6. (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

7. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline, Hcl

8. Mfcd03788189

9. Ec 415-110-8

10. R-tatrahydropapaverine Hcl

11. R-tetrahydropapaverin Hydrochloride

12. Dtxsid901335061

13. R-tetrahydropapaverine Hydrochlorid

14. R-tetrahydropapaverine Hydrochloride

15. Ac-2114

16. (r)-tetrahydropapaverine (hydrochloride)

17. As-37627

18. Cs-0137505

19. 417d537

20. Q-101023

21. (r)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline Hcl

22. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4 -tetrahydro-isoquinoline Hydrochloride

23. (1r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride (1:1)

24. (r)-1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline Hydrochloride, Aldrichcpr

2.3 Create Date
2010-03-23
3 Chemical and Physical Properties
Molecular Weight 379.9 g/mol
Molecular Formula C20H26ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass379.1550360 g/mol
Monoisotopic Mass379.1550360 g/mol
Topological Polar Surface Area49 Ų
Heavy Atom Count26
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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