RALANITEN ACETATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L10K286T2H

Structure
InChI Key HGHVYYKTOXUQNT-CLJLJLNGSA-N
Smile CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O
InChI
InChI=1S/C27H33ClO8/c1-18(29)32-16-26(36-20(3)31)17-34-24-12-8-22(9-13-24)27(4,5)21-6-10-23(11-7-21)33-15-25(14-28)35-19(2)30/h6-13,25-26H,14-17H2,1-5H3/t25-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H33ClO8
Molecular Weight 521.01
AlogP 4.44
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 97.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 1 D011471 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297675
FDA SRS L10K286T2H
SureChEMBL SCHEMBL16232971
CONTENTS