Recordati

CAS 54417-52-6

Chemistry, 5 End Use API, 38 Related Intermediates

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1 Intermediates

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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

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 Formula	C₂₀H₂₆ClNO₄
Molecular Weight	379.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	379.1550360 g/mol
Monoisotopic Mass	379.1550360 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

93-17-4

End Use API

Atracurium Besylate

About the Company

Recordati, established in 1926, is an international pharmaceutical group, listed on the Italian Stock Exc...

Recordati, established in 1926, is an international pharmaceutical group, listed on the Italian Stock Exchange (Reuters RECI.MI, Bloomberg REC IM, ISIN IT 0003828271), with a total staff of around 4,000, dedicated to the research, development, manufacturing and marketing of pharmaceuticals. Headquartered in Milan, Italy, Recordati has operations in the main European countries, in Russia, in other Central and Eastern European countries, in Turkey, in North Africa and in the United States of America.

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