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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H17N2O3PS
Molecular Weight 228.25
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHOSPHONOL

SMILES

CNCCCNCCSP(O)(O)=O

InChI

InChIKey=ZGSGBCBFJJASJA-UHFFFAOYSA-N
InChI=1S/C6H17N2O3PS/c1-7-3-2-4-8-5-6-13-12(9,10)11/h7-8H,2-6H2,1H3,(H2,9,10,11)

HIDE SMILES / InChI

Molecular Formula C6H17N2O3PS
Molecular Weight 228.25
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 Fri Dec 15 17:58:39 GMT 2023
Edited
by admin
on Fri Dec 15 17:58:39 GMT 2023
Record UNII
N2EW24AX4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHOSPHONOL
Common Name English
2-(3-(METHYLAMINO)PROPYLAMINO)ETHYLSULFANYLPHOSPHONIC ACID
Systematic Name English
ETHANETHIOL, 2-((3-(METHYLAMINO)PROPYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE)
Systematic Name English
PHOSPHOROTHIOIC ACID, S-(2-((3-(METHYLAMINO)PROPYL)AMINO)ETHYL) ESTER
Systematic Name English
ETHANETHIOL, 2-((3-(METHYLAMINO)PROPYL)AMINO)-, DIHYDROGEN PHOSPHATE (ESTER)
Systematic Name English
NSC-327729
Code English
2-((3-(METHYLAMINO)PROPYL)AMINO)ETHANETHIOL DIHYDROGEN PHOSPHATE (ESTER)
Systematic Name English
WR-3689
Code English
S-2-(3-METHYLAMINOPROPYLAMINO)ETHYLPHOSPHOROTHIOIC ACID
Systematic Name English
Code System Code Type Description
NSC
327729
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY
CAS
20751-90-0
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID70174828
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY
MESH
C049344
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY
FDA UNII
N2EW24AX4G
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY
PUBCHEM
100598
Created by admin on Fri Dec 15 17:58:39 GMT 2023 , Edited by admin on Fri Dec 15 17:58:39 GMT 2023
PRIMARY