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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 of NCX-8001

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 Sat Dec 16 10:31:21 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:21 GMT 2023
Record UNII
Q4D2YJ4WH7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NCX-8001
Code English
NCX8001
Code English
3-(NITROMETHYL)PHENYL 1-(AMINOMETHYL)CYCLOHEXANEACETATE
Systematic Name English
CYCLOHEXANEACETIC ACID, 1-(AMINOMETHYL)-, 3-(NITROMETHYL)PHENYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
Q4D2YJ4WH7
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID40790695
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
CAS
679837-89-9
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
PUBCHEM
71367580
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY