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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H10N2O7P2.5H2O
Molecular Weight 634.2556
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOLEDRONIC ACID HEMIPENTAHYDRATE

SMILES

O.O.O.O.O.OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O.OC(CN2C=CN=C2)(P(O)(O)=O)P(O)(O)=O

InChI

InChIKey=AZZILOGHCMYHQY-UHFFFAOYSA-N
InChI=1S/2C5H10N2O7P2.5H2O/c2*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;/h2*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);5*1H2

HIDE SMILES / InChI

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

Molecular Formula C5H10N2O7P2
Molecular Weight 272.0896
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 Fri Dec 15 17:49:19 UTC 2023
Edited
by admin
on Fri Dec 15 17:49:19 UTC 2023
Record UNII
1K9U67HDID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZOLEDRONIC ACID HEMIPENTAHYDRATE
Common Name English
ZOLEDRONIC ACID HEMIPENTAHYDRATE [JAN]
Common Name English
(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID, HEMIPENTAHYDRATE
Common Name English
Code System Code Type Description
EVMPD
SUB178554
Created by admin on Fri Dec 15 17:49:19 UTC 2023 , Edited by admin on Fri Dec 15 17:49:19 UTC 2023
PRIMARY
PUBCHEM
72734361
Created by admin on Fri Dec 15 17:49:19 UTC 2023 , Edited by admin on Fri Dec 15 17:49:19 UTC 2023
PRIMARY
DRUG BANK
DBSALT001962
Created by admin on Fri Dec 15 17:49:19 UTC 2023 , Edited by admin on Fri Dec 15 17:49:19 UTC 2023
PRIMARY
FDA UNII
1K9U67HDID
Created by admin on Fri Dec 15 17:49:19 UTC 2023 , Edited by admin on Fri Dec 15 17:49:19 UTC 2023
PRIMARY
SMS_ID
100000164225
Created by admin on Fri Dec 15 17:49:19 UTC 2023 , Edited by admin on Fri Dec 15 17:49:19 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE