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Details

Stereochemistry RACEMIC
Molecular Formula C12H20N2O2
Molecular Weight 224.2994
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERGILLIC ACID, (±)-

SMILES

CCC(C)C1=CN=C(CC(C)C)C(=O)N1O

InChI

InChIKey=IUZCDJYHMMWBBE-UHFFFAOYSA-N
InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ASPERGILLIC ACID, (±)-
Common Name English
ASPERGILLIC ACID, DL-
Common Name English
PYRAZINOL, 6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-, 1-OXIDE
Systematic Name English
2(1H)-PYRAZINONE, 1-HYDROXY-6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-
Systematic Name English
2-PYRAZINOL, 6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-, 1-OXIDE
Systematic Name English
Code System Code Type Description
CAS
22810-67-9
Created by admin on Sat Dec 16 10:31:43 UTC 2023 , Edited by admin on Sat Dec 16 10:31:43 UTC 2023
PRIMARY
CAS
21634-79-7
Created by admin on Sat Dec 16 10:31:43 UTC 2023 , Edited by admin on Sat Dec 16 10:31:43 UTC 2023
ALTERNATIVE
FDA UNII
OP8S9B694G
Created by admin on Sat Dec 16 10:31:43 UTC 2023 , Edited by admin on Sat Dec 16 10:31:43 UTC 2023
PRIMARY
PUBCHEM
10272
Created by admin on Sat Dec 16 10:31:43 UTC 2023 , Edited by admin on Sat Dec 16 10:31:43 UTC 2023
PRIMARY
NIH
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