CLOMACRAN PHOSPHATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7A1GN6M31H

Structure
InChI Key SKKDWRIEPIZVOR-UHFFFAOYSA-N
Smile CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21.O=P(O)(O)O
InChI
InChI=1S/C18H21ClN2.H3O4P/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18;1-5(2,3)4/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3;(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClN2O4P
Molecular Weight 398.83
AlogP 4.87
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2104136
FDA SRS 7A1GN6M31H
PubChem 31023
SureChEMBL SCHEMBL123074
CONTENTS