Chemical
Browse
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Search
Chemical Structure
Explore
Chemical Similarity
Transformation
Browse
Prodrugs
Drug Metabolites
Metabolite Datasets
Biochemical Action
Browse
Target Level (ChEMBL)
Level 1
Level 2
Level 3
Level 4
Level 5
Level 6
Mechanism of action
Search
Mechanism of action
BLAST against human drug target
BLAST against selected species (UniProt)
Exposure
Browse
Monitoring data
Downloads
Web services
Bulk downloads
About
About EcoDrug+
Citing
Data Sources
Contact Us
Versions and log file
NICOTINE MET 24-517
Search structure
Keyword(s):
Surfactants
Molecule Category
Free-form
Datasets:
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Human Metabolites
Search:
Exact
Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
PNSSPCHHDFVDSE-UHFFFAOYSA-N
Smiles
N1(C3C(C(C(C(O3)C(O)=O)O)O)O)(C4C(C(C(C(O4)C(O)=O)O)O)O)(C(c2cnccc2)CCC1)(Cl)C
InChI
InChI=1S/C22H32ClN2O12/c1-25(23,7-3-5-10(25)9-4-2-6-24-8-9,19-15(30)11(26)13(28)17(36-19)21(32)33)20-16(31)12(27)14(29)18(37-20)22(34)35/h2,4,6,8,10-20,26-31H,3,5,7H2,1H3,(H,32,33)(H,34,35)
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C22H32Cl1N2O12
Cross References
Resources
Reference
NORMAN SUSDAT
NS00000824
CONTENTS
Structure
Chemical and Physical Properties