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Details

Stereochemistry ACHIRAL
Molecular Formula C4H13NO6P2
Molecular Weight 233.0966
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aminobutane bisphosphonate

SMILES

CCCC(N)(P(O)(O)=O)P(O)(O)=O

InChI

InChIKey=XLIREHXMRXKQIV-UHFFFAOYSA-N
InChI=1S/C4H13NO6P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h2-3,5H2,1H3,(H2,6,7,8)(H2,9,10,11)

HIDE SMILES / InChI

Molecular Formula C4H13NO6P2
Molecular Weight 233.0966
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 Mon Mar 31 23:34:46 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:46 GMT 2025
Record UNII
BQQ4VYG98L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Aminobutane bisphosphonate
Systematic Name English
P,P?-(1-Aminobutylidene)bis[phosphonic acid]
Preferred Name English
Phosphonic acid, P,P?-(1-aminobutylidene)bis-
Systematic Name English
Code System Code Type Description
CAS
32545-60-1
Created by admin on Mon Mar 31 23:34:47 GMT 2025 , Edited by admin on Mon Mar 31 23:34:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID30954284
Created by admin on Mon Mar 31 23:34:47 GMT 2025 , Edited by admin on Mon Mar 31 23:34:47 GMT 2025
PRIMARY
PUBCHEM
169445
Created by admin on Mon Mar 31 23:34:47 GMT 2025 , Edited by admin on Mon Mar 31 23:34:47 GMT 2025
PRIMARY
FDA UNII
BQQ4VYG98L
Created by admin on Mon Mar 31 23:34:47 GMT 2025 , Edited by admin on Mon Mar 31 23:34:47 GMT 2025
PRIMARY