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Details

Stereochemistry ACHIRAL
Molecular Formula C9H22NO7P2.Na
Molecular Weight 341.2108
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBANDRONATE SODIUM ANHYDROUS

SMILES

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

InChI

InChIKey=LXLBEOAZMZAZND-UHFFFAOYSA-M
InChI=1S/C9H23NO7P2.Na/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);/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 C9H22NO7P2
Molecular Weight 318.221
Charge -1
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 05:03:49 UTC 2023
Edited
by admin
on Sat Dec 16 05:03:49 UTC 2023
Record UNII
23Y0B94E49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBANDRONATE SODIUM ANHYDROUS
Common Name English
BONDRONAT
Brand Name English
Ibandronate sodium [WHO-DD]
Common Name English
BONVIVA
Brand Name English
SODIUM IBANDRONATE ANHYDROUS
Common Name English
PHOSPHONIC ACID, (1-HYDROXY-3-(METHYLPENTYLAMINO)PROPYLIDENE)BIS-, MONOSODIUM SALT
Common Name English
IBANDRONIC ACID SODIUM SALT [MI]
Common Name English
Code System Code Type Description
CAS
138844-81-2
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID8046618
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY
MERCK INDEX
m6182
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY Merck Index
FDA UNII
23Y0B94E49
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY
PUBCHEM
60851
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY
SMS_ID
100000089521
Created by admin on Sat Dec 16 05:03:49 UTC 2023 , Edited by admin on Sat Dec 16 05:03:49 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY