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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17Cl6N5
Molecular Weight 492.058
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WR-99662

SMILES

CN(C)CCCNC1=NC(=NC(=N1)C2=CC=CC(=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChIKey=SDSMMBWQNDFCEX-UHFFFAOYSA-N
InChI=1S/C16H17Cl6N5/c1-27(2)8-4-7-23-14-25-12(24-13(26-14)16(20,21)22)10-5-3-6-11(9-10)15(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,23,24,25,26)

HIDE SMILES / InChI

Molecular Formula C16H17Cl6N5
Molecular Weight 492.058
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 12:56:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:36 GMT 2023
Record UNII
81N2ECC707
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WR-99662
Common Name English
NSC-129410
Code English
DIMETHYL(3-((4-(TRICHLOROMETHYL)-6-(3-(TRICHLOROMETHYL)PHENYL)-1,3,5-TRIAZIN-2-YL)AMINO)PROPYL)AMINE
Systematic Name English
1,3-PROPANEDIAMINE, N1,N1-DIMETHYL-N3-(4-(TRICHLOROMETHYL)-6-(3-(TRICHLOROMETHYL)PHENYL)-1,3,5-TRIAZIN-2-YL)-
Systematic Name English
1,3-PROPANEDIAMINE, N,N-DIMETHYL-N'-(4-(TRICHLOROMETHYL)-6-(3-(TRICHLOROMETHYL)PHENYL)-1,3,5-TRIAZIN-2-YL)-
Systematic Name English
S-TRIAZINE, 2-((3-(DIMETHYLAMINO)PROPYL)AMINO)-4-(TRICHLOROMETHYL)-6-(.ALPHA.,.ALPHA.,.ALPHA.-TRICHLORO-M-TOLYL)-
Systematic Name English
Code System Code Type Description
NSC
129410
Created by admin on Sat Dec 16 12:56:36 GMT 2023 , Edited by admin on Sat Dec 16 12:56:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID60183808
Created by admin on Sat Dec 16 12:56:36 GMT 2023 , Edited by admin on Sat Dec 16 12:56:36 GMT 2023
PRIMARY
PUBCHEM
97522
Created by admin on Sat Dec 16 12:56:36 GMT 2023 , Edited by admin on Sat Dec 16 12:56:36 GMT 2023
PRIMARY
CAS
29622-48-8
Created by admin on Sat Dec 16 12:56:36 GMT 2023 , Edited by admin on Sat Dec 16 12:56:36 GMT 2023
PRIMARY
FDA UNII
81N2ECC707
Created by admin on Sat Dec 16 12:56:36 GMT 2023 , Edited by admin on Sat Dec 16 12:56:36 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY