RIS
Summary
Name: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID |
Synonyms: | Risedronate |
Formula: | C7 H11 N O7 P2 |
Formal charge: | 0 |
Formula weight: | 283.112 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
OpenEye OEToolkits | 1.5.0 | (1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15) |
InChIKey | InChI | 1.03 | IIDJRNMFWXDHID-UHFFFAOYSA-N |