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Details

Stereochemistry ACHIRAL
Molecular Formula C4H13NO7P2.H2O
Molecular Weight 267.1113
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALENDRONIC ACID MONOHYDRATE

SMILES

O.NCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI

InChIKey=AQAZLLYAEFBJMU-UHFFFAOYSA-N
InChI=1S/C4H13NO7P2.H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ALENDRONIC ACID MONOHYDRATE
Common Name English
PHOSPHONIC ACID, P,P'-(4-AMINO-1-HYDROXYBUTYLIDENE)BIS-, HYDRATE (1:1)
Common Name English
PHOSPHONIC ACID, (4-AMINO-1-HYDROXYBUTYLIDENE)BIS-, MONOHYDRATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00160734
Created by admin on Fri Dec 15 15:32:38 UTC 2023 , Edited by admin on Fri Dec 15 15:32:38 UTC 2023
PRIMARY
FDA UNII
78TJA4E8I9
Created by admin on Fri Dec 15 15:32:38 UTC 2023 , Edited by admin on Fri Dec 15 15:32:38 UTC 2023
PRIMARY
CAS
138624-11-0
Created by admin on Fri Dec 15 15:32:38 UTC 2023 , Edited by admin on Fri Dec 15 15:32:38 UTC 2023
PRIMARY
PUBCHEM
15585620
Created by admin on Fri Dec 15 15:32:38 UTC 2023 , Edited by admin on Fri Dec 15 15:32:38 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ALENDRONIC ACID
NIH
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