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Details

Stereochemistry ACHIRAL
Molecular Formula C13H31NO7P2
Molecular Weight 375.3353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetramethyl Ibandronate

SMILES

CCCCCN(C)CCC(O)(P(=O)(OC)OC)P(=O)(OC)OC

InChI

InChIKey=KPSNZWOXCPASBB-UHFFFAOYSA-N
InChI=1S/C13H31NO7P2/c1-7-8-9-11-14(2)12-10-13(15,22(16,18-3)19-4)23(17,20-5)21-6/h15H,7-12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C13H31NO7P2
Molecular Weight 375.3353
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 21:13:51 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:51 GMT 2025
Record UNII
8M2L4HF7VJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetramethyl Ibandronate
Common Name English
P,P,P?,P?-Tetramethyl P,P?-[1-hydroxy-3-(methylpentylamino)propylidene]bis[phosphonate]
Preferred Name English
Phosphonic acid, P,P?-[1-hydroxy-3-(methylpentylamino)propylidene]bis-, P,P,P?,P?-tetramethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50652679
Created by admin on Wed Apr 02 21:13:51 GMT 2025 , Edited by admin on Wed Apr 02 21:13:51 GMT 2025
PRIMARY
CAS
1076199-42-2
Created by admin on Wed Apr 02 21:13:51 GMT 2025 , Edited by admin on Wed Apr 02 21:13:51 GMT 2025
PRIMARY
FDA UNII
8M2L4HF7VJ
Created by admin on Wed Apr 02 21:13:51 GMT 2025 , Edited by admin on Wed Apr 02 21:13:51 GMT 2025
PRIMARY
PUBCHEM
29987394
Created by admin on Wed Apr 02 21:13:51 GMT 2025 , Edited by admin on Wed Apr 02 21:13:51 GMT 2025
PRIMARY