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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C4H12NO7P2.Ca
Molecular Weight 536.254
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALENDRONATE CALCIUM

SMILES

[Ca++].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O.NCCCC(O)(P(O)(O)=O)P(O)([O-])=O

InChI

InChIKey=VFAZUESUCBECNE-UHFFFAOYSA-L
InChI=1S/2C4H13NO7P2.Ca/c2*5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h2*6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C4H12NO7P2
Molecular Weight 248.0881
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 08:25:55 UTC 2023
Edited
by admin
on Sat Dec 16 08:25:55 UTC 2023
Record UNII
3JTA994BVH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALENDRONATE CALCIUM
Common Name English
CALCIUM ALENDRONATE
Common Name English
CALCIUM ALENDRONATE ANHYDROUS
Common Name English
Alendronate calcium [WHO-DD]
Common Name English
PHOSPHONIC ACID, (4-AMINO-1-HYDROXYBUTYLIDENE)BIS-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60929809
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
FDA UNII
3JTA994BVH
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
PUBCHEM
178397
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
EVMPD
SUB121114
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
DRUG BANK
DBSALT001780
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
CAS
137504-90-6
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
SMS_ID
100000144463
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
PRIMARY
CAS
548457-56-3
Created by admin on Sat Dec 16 08:25:55 UTC 2023 , Edited by admin on Sat Dec 16 08:25:55 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
ACTIVE MOIETY