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Details

Stereochemistry ACHIRAL
Molecular Formula C27H36N4O2
Molecular Weight 448.6003
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-Dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea

SMILES

O=C(NC1CCCCC1)NC2=CC=C(CC3=CC=C(NC(=O)NC4CCCCC4)C=C3)C=C2

InChI

InChIKey=SGXPOLBQSKXTKY-UHFFFAOYSA-N
InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)

HIDE SMILES / InChI

Molecular Formula C27H36N4O2
Molecular Weight 448.6003
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 11:26:40 GMT 2023
Edited
by admin
on Sat Dec 16 11:26:40 GMT 2023
Record UNII
3LCH6WU7RB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-Dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
Systematic Name English
Urea, N,N′′-(methylenedi-4,1-phenylene)bis[N′-cyclohexyl-
Systematic Name English
1-cyclohexyl-3-[4-[[4-(cyclohexylcarbamoylamino)phenyl]methyl]phenyl]urea
Systematic Name English
NSC-527816
Code English
N,N′′-(Methylenedi-4,1-phenylene)bis[N′-cyclohexylurea]
Systematic Name English
Code System Code Type Description
FDA UNII
3LCH6WU7RB
Created by admin on Sat Dec 16 11:26:40 GMT 2023 , Edited by admin on Sat Dec 16 11:26:40 GMT 2023
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EPA CompTox
DTXSID90326423
Created by admin on Sat Dec 16 11:26:40 GMT 2023 , Edited by admin on Sat Dec 16 11:26:40 GMT 2023
PRIMARY
PUBCHEM
352756
Created by admin on Sat Dec 16 11:26:40 GMT 2023 , Edited by admin on Sat Dec 16 11:26:40 GMT 2023
PRIMARY
CAS
58890-25-8
Created by admin on Sat Dec 16 11:26:40 GMT 2023 , Edited by admin on Sat Dec 16 11:26:40 GMT 2023
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NSC
527816
Created by admin on Sat Dec 16 11:26:40 GMT 2023 , Edited by admin on Sat Dec 16 11:26:40 GMT 2023
PRIMARY