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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H19N2O3PS
Molecular Weight 242.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WR-2823

SMILES

NCCCCCNCCSP(O)(O)=O

InChI

InChIKey=QFAVBLKMVBLZHV-UHFFFAOYSA-N
InChI=1S/C7H19N2O3PS/c8-4-2-1-3-5-9-6-7-14-13(10,11)12/h9H,1-8H2,(H2,10,11,12)

HIDE SMILES / InChI

Molecular Formula C7H19N2O3PS
Molecular Weight 242.276
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 05:12:45 GMT 2023
Edited
by admin
on Sat Dec 16 05:12:45 GMT 2023
Record UNII
YHM39I0MM3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WR-2823
Code English
S-(2-((5-AMINOPENTYL)AMINO)ETHYL) PHOSPHOROTHIOATE
Systematic Name English
ETHANETHIOL, 2-((5-AMINOPENTYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE)
Systematic Name English
S-(2-((5-AMINOPENTYL)AMINO)ETHYL) DIHYDROGEN PHOSPHOROTHIOATE
Systematic Name English
Code System Code Type Description
CAS
20724-76-9
Created by admin on Sat Dec 16 05:12:45 GMT 2023 , Edited by admin on Sat Dec 16 05:12:45 GMT 2023
PRIMARY
FDA UNII
YHM39I0MM3
Created by admin on Sat Dec 16 05:12:45 GMT 2023 , Edited by admin on Sat Dec 16 05:12:45 GMT 2023
PRIMARY
PUBCHEM
114112
Created by admin on Sat Dec 16 05:12:45 GMT 2023 , Edited by admin on Sat Dec 16 05:12:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID40942935
Created by admin on Sat Dec 16 05:12:45 GMT 2023 , Edited by admin on Sat Dec 16 05:12:45 GMT 2023
PRIMARY