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Technical details about Higenamine Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 11041-94-4, Higenamine hcl, 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride, (+-)-demethylcoclaurine hydrochloride, Demethylcoclaurine hcl, Mfcd01717353
Molecular Formula
C16H18ClNO3
Molecular Weight
307.77  g/mol
InChI Key
SWWQQSDRUYSMAR-UHFFFAOYSA-N
FDA UNII
PQ432PID6E

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
2.1.2 InChI
InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
2.1.3 InChI Key
SWWQQSDRUYSMAR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl
2.2 Other Identifiers
2.2.1 UNII
PQ432PID6E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 11041-94-4

2. Higenamine Hcl

3. 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline Hydrochloride

4. (+-)-demethylcoclaurine Hydrochloride

5. Demethylcoclaurine Hcl

6. Mfcd01717353

7. Higenamine (hydrochloride)

8. Pq432pid6e

9. 11041-94-4 (hcl)

10. Demethylcoclaurine Hydrochloride

11. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride

12. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride

13. Demethyl

14. 6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline Hcl

15. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, Hydrochloride (1:1)

16. Unii-pq432pid6e

17. Norcoclaurine Hcl

18. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride (1:1)

19. Higenamine?hydrochloride

20. (+-)-1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol Hydrochloride

21. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride, (+-)-

22. Hy-n2037a

23. Dtxsid10911673

24. (+/-)-higenamine Hcl - Natural

25. Bcp07397

26. (+/-)-higenamine Hcl - Synthetic

27. S3960

28. Akos025287070

29. Ccg-267555

30. _x000d_67-dihydroxy-1-(4-hydroxybenzyl)-1234-tetrahydroisoquinoline Hydrochloride

31. 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol Hydrochloride

32. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydro Chloride (1:1)

33. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride

34. Ac-26395

35. As-10415

36. Sy029900

37. Xh163199

38. Db-059995

39. Cs-0016803

40. Ft-0696741

41. (+/-)-demethylcoclaurine Hydrochloride

42. Demethylcoclaurine Hydrochloride, (+/-)-

43. J-503750

44. Q27286703

45. 1-(4-hydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrochloride

46. 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol--hydrogen Chloride (1/1)

47. 6,7-isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, Hydrochloride, (+/-)-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 307.77 g/mol
Molecular Formula C16H18ClNO3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass307.0975211 g/mol
Monoisotopic Mass307.0975211 g/mol
Topological Polar Surface Area72.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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