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Details

Stereochemistry RACEMIC
Molecular Formula C16H20N2O
Molecular Weight 256.3428
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROSETOCLAVINE, (+-)-

SMILES

[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@](C)(O)CN2C

InChI

InChIKey=PYBBWVXSIFAQEZ-XPKDYRNWSA-N
InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20N2O
Molecular Weight 256.3428
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 Sat Dec 16 11:21:38 GMT 2023
Edited
by admin
on Sat Dec 16 11:21:38 GMT 2023
Record UNII
8F8EDX4HGK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROSETOCLAVINE, (+-)-
Common Name English
(±)-DIHYDROSETOCLAVINE
Common Name English
ERGOLIN-8-OL, 6,8-DIMETHYL-, (8.ALPHA.)-(±)-
Systematic Name English
Code System Code Type Description
CAS
77784-49-7
Created by admin on Sat Dec 16 11:21:38 GMT 2023 , Edited by admin on Sat Dec 16 11:21:38 GMT 2023
PRIMARY
FDA UNII
8F8EDX4HGK
Created by admin on Sat Dec 16 11:21:38 GMT 2023 , Edited by admin on Sat Dec 16 11:21:38 GMT 2023
PRIMARY
PUBCHEM
139583959
Created by admin on Sat Dec 16 11:21:38 GMT 2023 , Edited by admin on Sat Dec 16 11:21:38 GMT 2023
PRIMARY