DEOXYHYDROXYASPERGILLIC ACID

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 DEOXYHYDROXYASPERGILLIC ACID

Structure Search

SMILES

CCC(C)(O)C1=CN=C(CC(C)C)C(=O)N1

InChI

InChIKey=BHOHZIGEZDTNIQ-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C12H20N2O2
Molecular Weight	224.2994
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:55:26 GMT 2025` Edited by `admin` on `Tue Apr 01 19:55:26 GMT 2025`
Record UNII	139BOA9DGO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-127443

Preferred Name

English

DEOXYHYDROXYASPERGILLIC ACID

Common Name

English

2(1H)-PYRAZINONE, 6-(1-HYDROXY-1-METHYLPROPYL)-3-(2-METHYLPROPYL)-

Systematic Name

English

2(1H)-PYRAZINONE, 6-(1-HYDROXY-1-METHYLPROPYL)-3-ISOBUTYL-

Systematic Name

English

ASPERGILLIC ACID, DEOXYHYDROXY-

Common Name

English

Code System Code Type Description

CAS

17005-11-7

Created by admin on Tue Apr 01 19:55:26 GMT 2025 , Edited by admin on Tue Apr 01 19:55:26 GMT 2025

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FDA UNII

139BOA9DGO

Created by admin on Tue Apr 01 19:55:26 GMT 2025 , Edited by admin on Tue Apr 01 19:55:26 GMT 2025

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PUBCHEM

5458248

Created by admin on Tue Apr 01 19:55:26 GMT 2025 , Edited by admin on Tue Apr 01 19:55:26 GMT 2025

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NSC

127443

Created by admin on Tue Apr 01 19:55:26 GMT 2025 , Edited by admin on Tue Apr 01 19:55:26 GMT 2025

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