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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20N2O2
Molecular Weight 224.2994
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOASPERGILLIC ACID

SMILES

CC(C)CC1=CN=C(CC(C)C)C(=O)N1O

InChI

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

HIDE SMILES / InChI

Molecular Formula C12H20N2O2
Molecular Weight 224.2994
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:43 GMT 2023
Record UNII
GM6E3FL4VO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOASPERGILLIC ACID
Common Name English
3,6-DIISOBUTYL-1-HYDROXY-2(1H)-PYRAZINONE
Systematic Name English
1-HYDROXY-3,6-BIS(2-METHYLPROPYL)-2(1H)-PYRAZINONE
Systematic Name English
2(1H)-PYRAZINONE, 1-HYDROXY-3,6-BIS(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
CAS
5021-35-2
Created by admin on Sat Dec 16 12:43:43 GMT 2023 , Edited by admin on Sat Dec 16 12:43:43 GMT 2023
PRIMARY
FDA UNII
GM6E3FL4VO
Created by admin on Sat Dec 16 12:43:43 GMT 2023 , Edited by admin on Sat Dec 16 12:43:43 GMT 2023
PRIMARY
PUBCHEM
5458821
Created by admin on Sat Dec 16 12:43:43 GMT 2023 , Edited by admin on Sat Dec 16 12:43:43 GMT 2023
PRIMARY