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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H22N2O
Molecular Weight 270.3694
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOLINE-1-METHANOL, 6,8-DIMETHYL-, (8-BETA)-

SMILES

C[C@@H]1C[C@H]2[C@@H](CC3=CN(CO)C4=C3C2=CC=C4)N(C)C1

InChI

InChIKey=ZRSYFDQOVJPDJB-DJSGYFEHSA-N
InChI=1S/C17H22N2O/c1-11-6-14-13-4-3-5-15-17(13)12(9-19(15)10-20)7-16(14)18(2)8-11/h3-5,9,11,14,16,20H,6-8,10H2,1-2H3/t11-,14-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22N2O
Molecular Weight 270.3694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:53:20 GMT 2025
Edited
by admin
on Wed Apr 02 10:53:20 GMT 2025
Record UNII
RA273HBG2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-332296
Preferred Name English
ERGOLINE-1-METHANOL, 6,8-DIMETHYL-, (8-BETA)-
Common Name English
Code System Code Type Description
CAS
89930-64-3
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
FDA UNII
RA273HBG2N
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
PUBCHEM
73503
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
NSC
332296
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID501009066
Created by admin on Wed Apr 02 10:53:20 GMT 2025 , Edited by admin on Wed Apr 02 10:53:20 GMT 2025
PRIMARY