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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PETASININE

SMILES

C\C=C(\C)C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO

InChI

InChIKey=HQARVRYBUBTANR-JTPMTOLCSA-N
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-BUTENOIC ACID, 2-METHYL-, (1S,2R,7AS)-HEXAHYDRO-1-(HYDROXYMETHYL)-1H-PYRROLIZIN-2-YL ESTER, (2Z)-
Preferred Name English
PETASININE
Common Name English
PETASINECINE ANGELATE
Common Name English
ANGELOYLPETASINECINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601128893
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
CAS
70474-33-8
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
FDA UNII
5F7O38APH6
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
PUBCHEM
6440436
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY