POLDINE METHYLSULFATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 564C0W9848

Structure
InChI Key DQHAZEKGLAMVFA-UHFFFAOYSA-M
Smile COS(=O)(=O)[O-].C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29NO7S
Molecular Weight 451.54
AlogP 2.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106739
FDA SRS 564C0W9848
PubChem 11017
SureChEMBL SCHEMBL250977
CONTENTS