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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H15NO6P2
Molecular Weight 247.1232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [(Isopropylimino)dimethylene]bisphosphonic acid

SMILES

CC(C)N(CP(O)(O)=O)CP(O)(O)=O

InChI

InChIKey=MOJRXHQNPURCNP-UHFFFAOYSA-N
InChI=1S/C5H15NO6P2/c1-5(2)6(3-13(7,8)9)4-14(10,11)12/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12)

HIDE SMILES / InChI

Molecular Formula C5H15NO6P2
Molecular Weight 247.1232
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 Wed Apr 02 18:49:58 GMT 2025
Edited
by admin
on Wed Apr 02 18:49:58 GMT 2025
Record UNII
THU3BK98DW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[(Isopropylimino)dimethylene]bisphosphonic acid
Systematic Name English
N,N-Bis(phosphonomethyl)isopropylamine
Preferred Name English
Phosphonic acid, [[(1-methylethyl)imino]bis(methylene)]bis-
Systematic Name English
P,P?-[[(1-Methylethyl)imino]bis(methylene)]bis[phosphonic acid]
Systematic Name English
Phosphonic acid, P,P?-[[(1-methylethyl)imino]bis(methylene)]bis-
Systematic Name English
Code System Code Type Description
CAS
6056-52-6
Created by admin on Wed Apr 02 18:49:58 GMT 2025 , Edited by admin on Wed Apr 02 18:49:58 GMT 2025
PRIMARY
PUBCHEM
80161
Created by admin on Wed Apr 02 18:49:58 GMT 2025 , Edited by admin on Wed Apr 02 18:49:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID60975987
Created by admin on Wed Apr 02 18:49:58 GMT 2025 , Edited by admin on Wed Apr 02 18:49:58 GMT 2025
PRIMARY
FDA UNII
THU3BK98DW
Created by admin on Wed Apr 02 18:49:58 GMT 2025 , Edited by admin on Wed Apr 02 18:49:58 GMT 2025
PRIMARY