SOFPIRONIUM

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: 00Y6A5AJU6

Structure
InChI Key SEVCTUCCZYBJER-BSJAROSPSA-N
Smile CCOC(=O)C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1
InChI
InChI=1S/C22H32NO5/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3/q+1/t19-,22+,23?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32NO5+
Molecular Weight 390.5
AlogP 2.39
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707224
FDA SRS 00Y6A5AJU6
PubChem 86301317
CONTENTS