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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

1 NDC API

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Chemistry

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Also known as: Bromolysergide, 2-bromo-lsd, 478-84-2, Bol-148, Bromo-lsd, Jua77qeu32

Molecular Formula

C₂₀H₂₄BrN₃O

Molecular Weight

402.3 g/mol

InChI Key

VKRAXSZEDRWLAG-SJKOYZFVSA-N

FDA UNII

JUA77QEU32

1 2D Structure

2-Bromo-Lysergic Acid Diethylamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

2.1.2 InChI

InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1

2.1.3 InChI Key

VKRAXSZEDRWLAG-SJKOYZFVSA-N

2.1.4 Canonical SMILES

CCN(CC)C(=O)C1CN(C2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C

2.1.5 Isomeric SMILES

CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C

2.2 Other Identifiers

2.2.1 UNII

JUA77QEU32

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2 Bromolysergic Acid Diethylamide

2. 2-bromolysergic Diethylamide

3. Bol

4. Bol 148

5. Bromo-lsd

2.3.2 Depositor-Supplied Synonyms

1. Bromolysergide

2. 2-bromo-lsd

3. 478-84-2

4. Bol-148

5. Bromo-lsd

6. Jua77qeu32

7. Chembl274384

8. Bromlysergamide

9. Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-n,n-diethyl-6-methyl-, (8beta)-

10. Bromolysergic Acid Diethylamide

11. D-2-bromolysergic Acid Diethylamide

12. 2-bromo-d-lysergic Acid Diethylamide

13. Brom Lsd

14. (6ar,9r)-5-bromo-n,n-diethyl-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide

15. 2-br-lsd

16. Usaf Sz-1

17. 2-brom-d-lysergic Acid Diethylamine

18. Lsd,2-bromo

19. D-2-brom-diethylamide Of Lysergic Acid

20. Unii-jua77qeu32

21. Bromolysergide [mi]

22. Gtpl272

23. Bol148

24. Schembl1883414

25. Dtxsid30878496

26. Bdbm50130269

27. Zinc13531276

28. 2-bromo-9,10-didehydro-n,n-diethyl-6-methylergoline-8-beta-carboxamide

29. 9,10-didehydro-n,n-diethyl-2-bromo-6-methylergoline-8-beta-carboxamide

30. Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-n,n-diethyl-6-methyl-

31. 2-bromo-n,n-diethyl-d-lysergamide

32. Q4596865

33. (8beta)-2-bromo-9,10-didehydro-n,n-diethyl-6-methylergoline-8-carboxamide

34. (6ar,9r)-5-bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic Acid Diethylamide

35. 5-bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic Acid Diethylamide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄BrN₃O
Molecular Weight	402.3 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	401.11027 g/mol
Monoisotopic Mass	401.11027 g/mol
Topological Polar Surface Area	39.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	561
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1