Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G04BD11
UNII: 621G617227

Structure

InChI Key DCCSDBARQIPTGU-HSZRJFAPSA-N
Smile CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1
InChI
InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H37NO3
Molecular Weight 411.59
AlogP 5.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Neurogenic 3 D001750 ClinicalTrials
Urinary Bladder, Overactive 3 D053201 ClinicalTrials
Autonomic Dysreflexia 2 D020211 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 286930-02-7
ChEBI 135920
ChEMBL CHEMBL1201764
DrugBank DB06702
DrugCentral 4191
EPA CompTox DTXSID80182853
FDA SRS 621G617227
Human Metabolome Database HMDB0015648
Guide to Pharmacology 7473
PharmGKB PA165958376
PubChem 6918558
SureChEMBL SCHEMBL121127
ZINC ZINC000001552908