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Details

Stereochemistry RACEMIC
Molecular Formula C5H10O10P2.H2O
Molecular Weight 310.0897
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTEDRONIC ACID MONOHYDRATE

SMILES

O.OC(=O)CC(C(P(O)(O)=O)P(O)(O)=O)C(O)=O

InChI

InChIKey=LXTJOCAAYQSEGD-UHFFFAOYSA-N
InChI=1S/C5H10O10P2.H2O/c6-3(7)1-2(4(8)9)5(16(10,11)12)17(13,14)15;/h2,5H,1H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15);1H2

HIDE SMILES / InChI

Molecular Formula C5H10O10P2
Molecular Weight 292.0744
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O
Molecular Weight 18.0153
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 10:00:05 UTC 2023
Edited
by admin
on Sat Dec 16 10:00:05 UTC 2023
Record UNII
FS01746YVI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTEDRONIC ACID MONOHYDRATE
MI  
Common Name English
2-(DIPHOSPHONOMETHYL)BUTANEDIOIC ACID HYDRATE
Systematic Name English
BUTEDRONIC ACID MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
FS01746YVI
Created by admin on Sat Dec 16 10:00:05 UTC 2023 , Edited by admin on Sat Dec 16 10:00:05 UTC 2023
PRIMARY
MERCK INDEX
m2790
Created by admin on Sat Dec 16 10:00:05 UTC 2023 , Edited by admin on Sat Dec 16 10:00:05 UTC 2023
PRIMARY Merck Index
PUBCHEM
88745907
Created by admin on Sat Dec 16 10:00:05 UTC 2023 , Edited by admin on Sat Dec 16 10:00:05 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE