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Details

Stereochemistry ACHIRAL
Molecular Formula C9H22NO7P2.Na.H2O
Molecular Weight 359.2261
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBANDRONATE SODIUM

SMILES

O.[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O

InChI

InChIKey=VBDRTGFACFYFCT-UHFFFAOYSA-M
InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1

HIDE SMILES / InChI
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C9H23NO7P2
Molecular Weight 319.2289
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:34 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:34 UTC 2023
Record UNII
J12U072QL0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBANDRONATE SODIUM
MART.   ORANGE BOOK   USAN   USP-RS  
USAN  
Official Name English
DP-R206 COMPONENT IBANDRONATE
Common Name English
NSC-759815
Code English
Ibandronate monosodium monohydrate [WHO-DD]
Common Name English
IBANDRONATE SODIUM MONOHYDRATE [EP MONOGRAPH]
Common Name English
IBANDRONATE SODIUM HYDRATE
JAN  
Common Name English
IBANDRONIC ACID (AS SODIUM IBANDRONATE)
Common Name English
BM-21.0955
Code English
IBANDRONIC ACID SODIUM SALT
Common Name English
IBANDRONATE SODIUM [MART.]
Common Name English
BONIVA
Brand Name English
IBANDRONATE SODIUM [USAN]
Common Name English
IBANDRONIC ACID SODIUM SALT MONOHYDRATE [MI]
Common Name English
IBANDRONATE SODIUM [ORANGE BOOK]
Common Name English
SODIUM TRIHYDROGEN (1-HYDROXY-3-(METHYLPENTYLAMINO)PROPYLIDENE)DIPHOSPHONATE, MONOHYDRATE
Systematic Name English
BM-210955
Code English
IBANDRONIC SODIUM MONOHYDRATE
Common Name English
IBANDRONATE SODIUM MONOHYDRATE
Common Name English
PHOSPHONIC ACID, P,P'-(1-HYDROXY-3-(METHYLPENTYLAMINO)PROPYLIDENE)BIS-, SODIUM SALT, HYDRATE (1:1:1)
Systematic Name English
IBANDRONATE SODIUM [USP-RS]
Common Name English
IBANDRONATE SODIUM HYDRATE [JAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C443
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
NCI_THESAURUS C67439
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00930252
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
MERCK INDEX
m6182
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
RS_ITEM_NUM
1335417
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
DRUG BANK
DBSALT000246
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
SMS_ID
100000088547
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
FDA UNII
J12U072QL0
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL997
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
NSC
759815
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
USAN
JJ-78
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
PUBCHEM
23663991
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
EVMPD
SUB25470
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
CAS
138926-19-9
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
DAILYMED
J12U072QL0
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
WIKIPEDIA
Ibandronate sodium
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
EVMPD
SUB12516MIG
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
RXCUI
236916
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY RxNorm
EVMPD
SUB16462MIG
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
NCI_THESAURUS
C1670
Created by admin on Fri Dec 15 15:46:34 UTC 2023 , Edited by admin on Fri Dec 15 15:46:34 UTC 2023
PRIMARY
Related Record Type Details
Structure of IBANDRONIC ACID
PARENT -> SALT/SOLVATE
Structure of IBANDRONATE SODIUM ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of (1-HYDROXY-3-(PENTYLAMINO)PROPANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 3-(METHYL(PENTYL)AMINO)PROPANOIC ACID HYDROCHLORIDE
IMPURITY -> PARENT
Structure of 3-(METHYL(PENTYL)AMINO)PROPANOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of IBANDRONIC ACID
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