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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3
Molecular Weight 293.406
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=SSHXAWUVFBJJMN-MZMPZRCHSA-N
InChI=1S/C19H23N3/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/h4-6,11,13,16,18H,3,7-10H2,1-2H3/t13-,16-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H23N3
Molecular Weight 293.406
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
027RWP4ILS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOLINE-6-CARBONITRILE, 8-METHYL-1-PROPYL-, (8.BETA.)-
Common Name English
6-CYANO-1-PROPYL-6-NORFESTUCLAVINE
Common Name English
Code System Code Type Description
CAS
98931-06-7
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
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FDA UNII
027RWP4ILS
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
90477920
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
EPA CompTox
DTXSID30912985
Created by admin on Sat Dec 16 08:23:31 GMT 2023 , Edited by admin on Sat Dec 16 08:23:31 GMT 2023
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