U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4O2.2ClH
Molecular Weight 399.315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EGIS-7625

SMILES

Cl.Cl.CC1=CC(=C(C=C1N)N2CCN(CC3=CC=CC=C3)CC2)[N+]([O-])=O

InChI

InChIKey=AYRFPZMTRYDWGP-UHFFFAOYSA-N
InChI=1S/C18H22N4O2.2ClH/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15;;/h2-6,11-12H,7-10,13,19H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula C18H22N4O2
Molecular Weight 326.3929
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VVM6OT854G
Record Status Validated (UNII)
Record Version