U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26BrN3O
Molecular Weight 416.355
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-2-BROMOLYSERGIC ACID DIETHYLAMIDE

SMILES

[H][C@@]12CC3=C(Br)N(C)C4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC

InChI

InChIKey=KLMFUBCMJSPRPY-FZKQIMNGSA-N
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

HIDE SMILES / InChI

Molecular Formula C21H26BrN3O
Molecular Weight 416.355
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:21:50 GMT 2023
Edited
by admin
on Fri Dec 15 15:21:50 GMT 2023
Record UNII
40H37184BJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-2-BROMOLYSERGIC ACID DIETHYLAMIDE
Common Name English
LYSERGAMIDE, 2-BROMO-N,N-DIETHYL-1-METHYL-
Common Name English
1-METHYL-2-BROMO-LYSERGIDE
Common Name English
1-METHYL-2-BROMO-LSD
Common Name English
ERGOLINE-8-CARBOXAMIDE, 2-BROMO-9,10-DIDEHYDRO-N,N-DIETHYL-1,6-DIMETHYL-, (8.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90964708
Created by admin on Fri Dec 15 15:21:50 GMT 2023 , Edited by admin on Fri Dec 15 15:21:50 GMT 2023
PRIMARY
CAS
50484-98-5
Created by admin on Fri Dec 15 15:21:50 GMT 2023 , Edited by admin on Fri Dec 15 15:21:50 GMT 2023
PRIMARY
FDA UNII
40H37184BJ
Created by admin on Fri Dec 15 15:21:50 GMT 2023 , Edited by admin on Fri Dec 15 15:21:50 GMT 2023
PRIMARY
PUBCHEM
170844
Created by admin on Fri Dec 15 15:21:50 GMT 2023 , Edited by admin on Fri Dec 15 15:21:50 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY