Structure

InChI Key CDSBFDCCJJDFCV-CKZSCMLPSA-N
Smile CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC
InChI
InChI=1S/C33H45N3O7S/c1-6-43-25-8-9-27-26(22-25)33(14-11-23(12-15-33)13-16-35-17-19-42-20-18-35)31(38)36(27)44(39,40)29-10-7-24(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-23H,6,11-20H2,1-5H3,(H,34,37)/t23-,33+

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H45N3O7S
Molecular Weight 627.8
AlogP 4.51
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 114.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vasopressin V2 receptor antagonist PubMed PubMed PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis 3 D008103 ClinicalTrials
Inappropriate ADH Syndrome 3 D007177 ClinicalTrials
Ascites 3 D001201 ClinicalTrials
Hyponatremia 3 D007010 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 185913-78-4
ChEMBL CHEMBL2107777
FDA SRS AJS8S3P31H
Guide to Pharmacology 2199
PubChem 158348