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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21N3
Molecular Weight 291.3901
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOLINE-6-CARBONITRILE, 8-METHYL-1-(2-PROPENYL)-, (8.BETA.)-

SMILES

[H][C@@]12CC3=CN(CC=C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](C)CN2C#N

InChI

InChIKey=ADCDISFHDLKFFS-MZMPZRCHSA-N
InChI=1S/C19H21N3/c1-3-7-21-11-14-9-18-16(8-13(2)10-22(18)12-20)15-5-4-6-17(21)19(14)15/h3-6,11,13,16,18H,1,7-10H2,2H3/t13-,16-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21N3
Molecular Weight 291.3901
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 08:23:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:23:31 GMT 2023
Record UNII
XSH7CU4WH0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOLINE-6-CARBONITRILE, 8-METHYL-1-(2-PROPENYL)-, (8.BETA.)-
Common Name English
1-ALLYL-6-CYANO-6-NORFESTUCLAVINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70912984
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
CAS
98931-07-8
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
PUBCHEM
131888546
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY
FDA UNII
XSH7CU4WH0
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
PRIMARY