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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N2O2
Molecular Weight 268.3104
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PASPALIC ACID

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C=C(CN2C)C(O)=O

InChI

InChIKey=RJNCJTROKRDRBW-TZMCWYRMSA-N
InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N2O2
Molecular Weight 268.3104
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 Fri Dec 15 15:47:52 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:52 GMT 2023
Record UNII
P81DUK4Q2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PASPALIC ACID
Common Name English
6-METHYLERGOL-8-ENE-8-CARBOXYLIC ACID
Common Name English
ERGOLINE-8-CARBOXYLIC ACID, 8,9-DIDEHYDRO-6-METHYL-
Systematic Name English
6-METHYL-ERGOL-8,9-ENE-8-CARBOXYLIC ACID
Common Name English
.DELTA.8-LYSERGIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20203672
Created by admin on Fri Dec 15 15:47:52 GMT 2023 , Edited by admin on Fri Dec 15 15:47:52 GMT 2023
PRIMARY
CAS
5516-88-1
Created by admin on Fri Dec 15 15:47:52 GMT 2023 , Edited by admin on Fri Dec 15 15:47:52 GMT 2023
PRIMARY
PUBCHEM
21692
Created by admin on Fri Dec 15 15:47:52 GMT 2023 , Edited by admin on Fri Dec 15 15:47:52 GMT 2023
PRIMARY
FDA UNII
P81DUK4Q2L
Created by admin on Fri Dec 15 15:47:52 GMT 2023 , Edited by admin on Fri Dec 15 15:47:52 GMT 2023
PRIMARY