U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N4O4
Molecular Weight 382.4131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-1-NITRO-4-ACRIDINECARBOXYLIC ACID METHYL ESTER

SMILES

COC(=O)C1=C2N=C3C=CC=CC3=C(NCCCN(C)C)C2=C(C=C1)[N+]([O-])=O

InChI

InChIKey=LJNIDEWFUGGGMV-UHFFFAOYSA-N
InChI=1S/C20H22N4O4/c1-23(2)12-6-11-21-18-13-7-4-5-8-15(13)22-19-14(20(25)28-3)9-10-16(17(18)19)24(26)27/h4-5,7-10H,6,11-12H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C20H22N4O4
Molecular Weight 382.4131
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 08:23:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:23:08 GMT 2023
Record UNII
WO284740GP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-1-NITRO-4-ACRIDINECARBOXYLIC ACID METHYL ESTER
Systematic Name English
4-ACRIDINECARBOXYLIC ACID, 9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-1-NITRO-, METHYL ESTER
Common Name English
Code System Code Type Description
CAS
116374-64-2
Created by admin on Sat Dec 16 08:23:08 GMT 2023 , Edited by admin on Sat Dec 16 08:23:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID90151378
Created by admin on Sat Dec 16 08:23:08 GMT 2023 , Edited by admin on Sat Dec 16 08:23:08 GMT 2023
PRIMARY
PUBCHEM
146587
Created by admin on Sat Dec 16 08:23:08 GMT 2023 , Edited by admin on Sat Dec 16 08:23:08 GMT 2023
PRIMARY
FDA UNII
WO284740GP
Created by admin on Sat Dec 16 08:23:08 GMT 2023 , Edited by admin on Sat Dec 16 08:23:08 GMT 2023
PRIMARY