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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H21ClF3N5O3
Molecular Weight 411.807
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JPC-2056

SMILES

CC(C)NC(=N)NC(=N)NOCCCOC1=CC=C(OC(F)(F)F)C=C1Cl

InChI

InChIKey=NDJYKXNKFMMXEW-UHFFFAOYSA-N
InChI=1S/C15H21ClF3N5O3/c1-9(2)22-13(20)23-14(21)24-26-7-3-6-25-12-5-4-10(8-11(12)16)27-15(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3,(H5,20,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula C15H21ClF3N5O3
Molecular Weight 411.807
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 09:06:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:15 GMT 2023
Record UNII
A8MUL83L0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JPC-2056
Common Name English
IMIDODICARBONIMIDIC DIAMIDE, N-(3-(2-CHLORO-4-(TRIFLUOROMETHOXY)PHENOXY)PROPOXY)-N'-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10097835
Created by admin on Sat Dec 16 09:06:15 GMT 2023 , Edited by admin on Sat Dec 16 09:06:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID501016049
Created by admin on Sat Dec 16 09:06:15 GMT 2023 , Edited by admin on Sat Dec 16 09:06:15 GMT 2023
PRIMARY
CAS
701976-24-1
Created by admin on Sat Dec 16 09:06:15 GMT 2023 , Edited by admin on Sat Dec 16 09:06:15 GMT 2023
PRIMARY
FDA UNII
A8MUL83L0F
Created by admin on Sat Dec 16 09:06:15 GMT 2023 , Edited by admin on Sat Dec 16 09:06:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY