NCX-8001

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22N2O4
Molecular Weight	306.3569
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCC2(CC(=O)OC1=CC=CC(C[N+]([O-])=O)=C1)CCCCC2

InChI

InChIKey=BKKQAFYHGAYCCS-UHFFFAOYSA-N

InChI=1S/C16H22N2O4/c17-12-16(7-2-1-3-8-16)10-15(19)22-14-6-4-5-13(9-14)11-18(20)21/h4-6,9H,1-3,7-8,10-12,17H2

HIDE SMILES / InChI

Molecular Formula	C16H22N2O4
Molecular Weight	306.3569
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 `Mon Mar 31 23:18:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:18:08 GMT 2025`
Record UNII	Q4D2YJ4WH7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NCX-8001

Code

English

CYCLOHEXANEACETIC ACID, 1-(AMINOMETHYL)-, 3-(NITROMETHYL)PHENYL ESTER

Preferred Name

English

NCX8001

Code

English

3-(NITROMETHYL)PHENYL 1-(AMINOMETHYL)CYCLOHEXANEACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

Q4D2YJ4WH7

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

EPA CompTox

DTXSID40790695

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

CAS

679837-89-9

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

PUBCHEM

71367580

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

Related Record Type Details


					Q4D2YJ4WH7

NCX-8001

ACTIVE MOIETY