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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H8O2
Molecular Weight 112.1265
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Parasorbic acid

SMILES

C[C@H]1CC=CC(=O)O1

InChI

InChIKey=DYNKRGCMLGUEMN-YFKPBYRVSA-N
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1

HIDE SMILES / InChI
PARASORBIC ACID, a cyclic lactone of sorbic acid, was isolated from ripe berries of mountain ash (Sorbus aucuparia). It produced local sarcomas being administered by subcutaneous injection to rats.

Approval Year

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Toxicity data.
LD50 in mice (mg/kg): 420+/-6.3 IP; 195+/-13.6 IV
Route of Administration: Other
Name Type Language
Parasorbic acid
MI  
Common Name English
(S)-(+)-PARASORBIC ACID
Common Name English
PARASORBIC ACID [IARC]
Common Name English
2H-PYRAN-2-ONE, 5,6-DIHYDRO-6-METHYL-, (S)-
Systematic Name English
2H-PYRAN-2-ONE, 5,6-DIHYDRO-6-METHYL-, (S)-(+)-
Systematic Name English
(S)-PARASORBIC ACID
Common Name English
PARASORBIC ACID [MI]
Common Name English
2H-PYRAN-2-ONE, 5,6-DIHYDRO-6-METHYL-, (6S)-
Systematic Name English
(S)-6-METHYL-5,6-DIHYDRO-2-PYRONE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m8406
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY Merck Index
PUBCHEM
441575
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
DRUG BANK
DB14121
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
RXCUI
1998743
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID10893607
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
CAS
10048-32-5
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
FDA UNII
DCN48OUK3T
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
WIKIPEDIA
Parasorbic acid
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY
RXCUI
1998744
Created by admin on Sat Dec 16 10:55:30 GMT 2023 , Edited by admin on Sat Dec 16 10:55:30 GMT 2023
PRIMARY