N(1)-Methyl-2-bromo-lysergic acid diethylamide
PubChem CID
170844
Structure
Molecular Formula
Synonyms
- 50484-98-5
- N(1)-Methyl-2-bromo-lysergic acid diethylamide
- 40H37184BJ
- 1-methyl-2-bromolysergic acid diethylamide
- 1-Methyl-2-bromlysergic acid diethylamide
Molecular Weight
416.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
(6aR,9R)-5-bromo-N,N-diethyl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
KLMFUBCMJSPRPY-FZKQIMNGSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(N(C4=CC=CC(=C34)C2=C1)C)Br)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H26BrN3O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
50484-98-5
- N(1)-methyl-2-Br-LSD
- N(1)-methyl-2-bromo-lysergic acid diethylamide
- 50484-98-5
- N(1)-Methyl-2-bromo-lysergic acid diethylamide
- 40H37184BJ
- 1-methyl-2-bromolysergic acid diethylamide
- 1-Methyl-2-bromlysergic acid diethylamide
- MBL-61
- BRN 0048147
- UNII-40H37184BJ
- 4-25-00-00974 (Beilstein Handbook Reference)
- 1-METHYL-2-BROMO-LSD
- SCHEMBL25319005
- DTXSID90964708
- 1-METHYL-2-BROMO-LYSERGIDE
- Ergoline-8-beta-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-
- Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-, (8.beta.)-
- DB-255372
- LYSERGAMIDE, 2-BROMO-N,N-DIETHYL-1-METHYL-
- Q27258328
- 2-bromo-n,n-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
416.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
415.12593 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
415.12593 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
28.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
590
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KLMFUBCMJSPRPY-FZKQIMNGSA-N
- ChemIDplusN(1)-Methyl-2-bromo-lysergic acid diethylamidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0050484985ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-Bromo-N,N-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamidehttps://comptox.epa.gov/dashboard/DTXSID90964708CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1-METHYL-2-BROMOLYSERGIC ACID DIETHYLAMIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/40H37184BJ
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata1-methyl-2-bromolysergic acid diethylamidehttps://www.wikidata.org/wiki/Q27258328
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlN(1)-methyl-2-bromo-lysergic acid diethylamidehttps://www.ncbi.nlm.nih.gov/mesh/67058328
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 484612875https://pubchem.ncbi.nlm.nih.gov/substance/484612875
- NCBI
CONTENTS