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Also known as: 20232-39-7, 6,7-dimethoxy-3,4-dihydroisoquinoline, hcl, 3,4-dihydro-6,7-dimethoxyisoquinoline hydrochloride, 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride, Mfcd00143492, Nsc-216069
Molecular Formula
C11H14ClNO2
Molecular Weight
227.69  g/mol
InChI Key
PQXVEYYRJHMTEV-UHFFFAOYSA-N
FDA UNII
WGL5C66P4J

CAS 20232-39-7
1 2D Structure

CAS 20232-39-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
2.1.2 InChI
InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H
2.1.3 InChI Key
PQXVEYYRJHMTEV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C=NCCC2=C1)OC.Cl
2.2 Other Identifiers
2.2.1 UNII
WGL5C66P4J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 20232-39-7

2. 6,7-dimethoxy-3,4-dihydroisoquinoline, Hcl

3. 3,4-dihydro-6,7-dimethoxyisoquinoline Hydrochloride

4. 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

5. Mfcd00143492

6. Nsc-216069

7. 6,7-dimethoxy-3,4-dihydroisoquinoline Hcl

8. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride (1:1)

9. Wgl5c66p4j

10. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride

11. Schembl10422728

12. Dtxsid40942339

13. Bcp26017

14. Nsc216069

15. Akos015846160

16. Cs-w002427

17. Ds-1708

18. Ac-22650

19. Bp-30016

20. Sy009731

21. Am20120606

22. D4629

23. Ft-0637960

24. 232d397

25. 3,4-dihydro-6,7-dimethoxyisoquinolinehydrochloride

26. J-650348

27. 3,4-dihydro-6,7 -dimethoxyisoquinoline Hydrochloride

28. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydro-chloride

29. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydrochloride, Aldrichcpr

30. 6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen Chloride (1/1)

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass227.0713064 g/mol
Monoisotopic Mass227.0713064 g/mol
Topological Polar Surface Area30.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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