Cas no 50484-98-5 (N(1)-methyl-2-bromo-lysergic acid diethylamide)
50484-98-5 structure
Product Name:N(1)-methyl-2-bromo-lysergic acid diethylamide
CAS No:50484-98-5
MF:C21H26BrN3O
MW:416.354644298553
CID:375979
PubChem ID:170844
Update Time:2025-04-19
N(1)-methyl-2-bromo-lysergic acid diethylamide Chemical and Physical Properties
Names and Identifiers
-
- Ergoline-8-carboxamide,2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-, (8b)- (9CI)
- (6aR,9R)-5-bromo-N,N-diethyl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
- N(1)-methyl-2-bromo-lysergic acid diethylamide
- Q27258328
- DTXSID90964708
- BRN 0048147
- MBL-61
- 1-Methyl-2-bromlysergic acid diethylamide
- 1-METHYL-2-BROMO-LYSERGIDE
- LYSERGAMIDE, 2-BROMO-N,N-DIETHYL-1-METHYL-
- 4-25-00-00974 (Beilstein Handbook Reference)
- 50484-98-5
- 1-METHYL-2-BROMO-LSD
- 1-methyl-2-bromolysergic acid diethylamide
- Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-, (8.beta.)-
- 40H37184BJ
- 2-bromo-n,n-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
- Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-
- UNII-40H37184BJ
-
- Inchi： 1S/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/t13-,18-/m1/s1
- InChI Key： KLMFUBCMJSPRPY-FZKQIMNGSA-N
- SMILES： BrC1=C2C3C(=CC=CC=3C3=C[C@@H](C(N(CC)CC)=O)CN(C)[C@@H]3C2)N1C
Computed Properties
- Exact Mass: 415.12608
- Monoisotopic Mass: 415.12593g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 590
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 28.5?2
Experimental Properties
- PSA: 28.48
N(1)-methyl-2-bromo-lysergic acid diethylamide Related Literature
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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