Compound Identification
SMILES
CC1=CSC(NC2=CC=C(Cl)C=C2)=[N+]1CCC(O)(P(O)(O)=O)P(O)([O-])=O
InChIKey
InChIKey=WJNHQTRBNZHDGJ-UHFFFAOYSA-N
Formula
C13H17ClN2O7P2S
Mass
442.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic phosphonic acids and derivatives
- Subclass Bisphosphonates
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Class
Organic phosphonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphonic acids and derivatives
Subclass
Bisphosphonates
Intermediate Tree Nodes
Not available
Direct Parent
Bisphosphonates
Alternative Parents
Aniline and substituted anilines 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Organic phosphonic acids Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organooxygen compounds Organophosphorus compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bisphosphonate - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Organophosphonic acid - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
External Descriptors
Not available