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 C22H29Cl2N9O
Molecular Weight 506.431
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-CHLOROPHENYL)-N-(N-(6-((N-(N-(4-CHLOROPHENYL)CARBAMIMIDOYL)CARBAMIMIDOYL)AMINO)HEXYL)CARBAMIMIDOYL)UREA

SMILES

NC(=O)N(C(=N)NCCCCCCNC(=N)NC(=N)NC1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=OGUCGFTTYLMYKZ-UHFFFAOYSA-N
InChI=1S/C22H29Cl2N9O/c23-15-5-9-17(10-6-15)31-20(26)32-19(25)29-13-3-1-2-4-14-30-21(27)33(22(28)34)18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H2,27,30)(H2,28,34)(H5,25,26,29,31,32)

HIDE SMILES / InChI

Molecular Formula C22H29Cl2N9O
Molecular Weight 506.431
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

Approval Year

Substance Class Chemical
Record UNII
R8NE9BPR33
Record Status Validated (UNII)
Record Version