4-Methyl-4-nitroheptanedioic acid

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13NO6
Molecular Weight	219.1919
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methyl-4-nitroheptanedioic acid

Structure Search

SMILES

CC(CCC(O)=O)(CCC(O)=O)[N+]([O-])=O

InChI

InChIKey=QSVSXKWXZSDWIU-UHFFFAOYSA-N

InChI=1S/C8H13NO6/c1-8(9(14)15,4-2-6(10)11)5-3-7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H13NO6
Molecular Weight	219.1919
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 18:52:29 GMT 2023` Edited by `admin` on `Sat Dec 16 18:52:29 GMT 2023`
Record UNII	WMU4CQH8W3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-Methyl-4-nitroheptanedioic acid

Systematic Name

English

NSC-16050

Code

English

Heptanedioic acid, 4-methyl-4-nitro-

Systematic Name

English

4-(hydroxy(oxido)amino)-4-methylheptanedioic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

WMU4CQH8W3

Created by admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023

PRIMARY

PUBCHEM

226041

Created by admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023

PRIMARY

CAS

5437-39-8

Created by admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023

PRIMARY

NSC

16050

Created by admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023

PRIMARY

EPA CompTox

DTXSID60969467

Created by admin on Sat Dec 16 18:52:29 GMT 2023 , Edited by admin on Sat Dec 16 18:52:29 GMT 2023

PRIMARY