DAROTROPIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9ZQX4PG68I

Structure
InChI Key BKLAJZNVMHLXAP-AGYIDARRSA-N
Smile C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2
InChI
InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t19-,22-,23+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N2+
Molecular Weight 345.51
AlogP 4.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 23.79
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 26.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2365940
FDA SRS 9ZQX4PG68I
PubChem 25195533
CONTENTS