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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20N2O
Molecular Weight 208.3
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYASPERGILLIC ACID

SMILES

CC[C@H](C)C1=CN=C(CC(C)C)C(=O)N1

InChI

InChIKey=NQUCTITVLHEDIU-VIFPVBQESA-N
InChI=1S/C12H20N2O/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14-11/h7-9H,5-6H2,1-4H3,(H,14,15)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H20N2O
Molecular Weight 208.3
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:51:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:51:28 GMT 2023
Record UNII
5V7X9OGR3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEOXYASPERGILLIC ACID
Common Name English
PYRAZINOL, 6-SEC-BUTYL-3-ISOBUTYL-
Systematic Name English
6-((1S)-1-METHYLPROPYL)-3-(2-METHYLPROPYL)-2(1H)-PYRAZINONE
Systematic Name English
2(1H)-PYRAZINONE, 6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-, (S)-
Systematic Name English
NSC-127441
Code English
(S)-DEOXYASPERGILLIC ACID
Common Name English
Code System Code Type Description
NSC
127441
Created by admin on Sat Dec 16 12:51:28 GMT 2023 , Edited by admin on Sat Dec 16 12:51:28 GMT 2023
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EPA CompTox
DTXSID70299000
Created by admin on Sat Dec 16 12:51:28 GMT 2023 , Edited by admin on Sat Dec 16 12:51:28 GMT 2023
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CAS
21641-71-4
Created by admin on Sat Dec 16 12:51:28 GMT 2023 , Edited by admin on Sat Dec 16 12:51:28 GMT 2023
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PUBCHEM
11805923
Created by admin on Sat Dec 16 12:51:28 GMT 2023 , Edited by admin on Sat Dec 16 12:51:28 GMT 2023
PRIMARY
FDA UNII
5V7X9OGR3B
Created by admin on Sat Dec 16 12:51:28 GMT 2023 , Edited by admin on Sat Dec 16 12:51:28 GMT 2023
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