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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O2
Molecular Weight 258.3554
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of CICUTOXIN

SMILES

CCC[C@@H](O)\C=C\C=C\C=C\C#CC#CCCCO

InChI

InChIKey=FQVNSJQTSOVRKZ-JNRDBWBESA-N
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CICUTOXIN
HSDB   MI  
Common Name English
8,10,12-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (8E,10E,12E,14R)-
Systematic Name English
HEPTADECA-8,10,12-TRIENE-4,6-DIYNE-1,14-DIOL, TRANS-
Systematic Name English
CICUTOXIN [HSDB]
Common Name English
8,10,12-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (E,E,E)-(-)-
Systematic Name English
CICUTOXIN [MI]
Common Name English
NSC-606489
Code English
CICUTOXIN, (R)-(-)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30896918
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
FDA UNII
6F9YP2TYQ0
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
MERCK INDEX
m3540
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY Merck Index
NSC
606489
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
CAS
505-75-9
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
HSDB
3472
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
PUBCHEM
25265910
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY
WIKIPEDIA
Cicutoxin
Created by admin on Sat Dec 16 08:34:18 GMT 2023 , Edited by admin on Sat Dec 16 08:34:18 GMT 2023
PRIMARY