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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18N2
Molecular Weight 226.3168
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYLERGOLINE

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])CCCN2C

InChI

InChIKey=NNDATQSUZGLGQT-BXUZGUMPSA-N
InChI=1S/C15H18N2/c1-17-7-3-5-11-12-4-2-6-13-15(12)10(9-16-13)8-14(11)17/h2,4,6,9,11,14,16H,3,5,7-8H2,1H3/t11-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18N2
Molecular Weight 226.3168
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 Sat Dec 16 10:24:40 GMT 2023
Edited
by admin
on Sat Dec 16 10:24:40 GMT 2023
Record UNII
AE0MGL902M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHYLERGOLINE
Systematic Name English
ERGOLINE, 6-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90331572
Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023
PRIMARY
PUBCHEM
441284
Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023
PRIMARY
FDA UNII
AE0MGL902M
Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023
PRIMARY
CAS
109922-46-5
Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023
PRIMARY
CHEBI
2215
Created by admin on Sat Dec 16 10:24:40 GMT 2023 , Edited by admin on Sat Dec 16 10:24:40 GMT 2023
PRIMARY