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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O
Molecular Weight 254.3269
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SETOCLAVINE

SMILES

CN1C[C@@](C)(O)C=C2[C@H]1CC3=CNC4=C3C2=CC=C4

InChI

InChIKey=BGVUWLLRNRBDAY-ZBFHGGJFSA-N
InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O
Molecular Weight 254.3269
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 Mon Mar 31 23:29:56 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:56 GMT 2025
Record UNII
UE9HT9P885
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SETOCLAVINE
Common Name English
J13.979C
Preferred Name English
SETOCLAVIN
Common Name English
ERGOLIN-8.ALPHA.-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-
Systematic Name English
ERGOLIN-8-OL, 9,10-DIDEHYDRO-6,8-DIMETHYL-, (8.ALPHA.)-
Systematic Name English
9,10-DIDEHYDRO-6,8-DIMETHYLERGOLIN-8.ALPHA.-OL
Systematic Name English
(+)-SETOCLAVINE
Common Name English
Code System Code Type Description
CAS
519-12-0
Created by admin on Mon Mar 31 23:29:56 GMT 2025 , Edited by admin on Mon Mar 31 23:29:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID301256140
Created by admin on Mon Mar 31 23:29:56 GMT 2025 , Edited by admin on Mon Mar 31 23:29:56 GMT 2025
PRIMARY
WIKIPEDIA
SETOCLAVINE
Created by admin on Mon Mar 31 23:29:56 GMT 2025 , Edited by admin on Mon Mar 31 23:29:56 GMT 2025
PRIMARY
PUBCHEM
11482216
Created by admin on Mon Mar 31 23:29:56 GMT 2025 , Edited by admin on Mon Mar 31 23:29:56 GMT 2025
PRIMARY
FDA UNII
UE9HT9P885
Created by admin on Mon Mar 31 23:29:56 GMT 2025 , Edited by admin on Mon Mar 31 23:29:56 GMT 2025
PRIMARY