EcoDrugPlus


Synonyms	Epi-506 Ralaniten acetate
Status
Molecule Category	Free-form
UNII	L10K286T2H

Synonyms

Epi-506

Ralaniten acetate

Status

Molecule Category

Free-form

UNII

L10K286T2H


InChI Key	HGHVYYKTOXUQNT-CLJLJLNGSA-N
Smiles	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

InChI Key

HGHVYYKTOXUQNT-CLJLJLNGSA-N

Smiles

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

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

Property Name

Value

Molecular Formula

C27H33ClO8

Molecular Weight

521.01

AlogP

4.44

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

13.0

Polar Surface Area

97.36

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

36.0

Resources	Reference
ChEMBL	CHEMBL4297675
FDA SRS	L10K286T2H
SureChEMBL	SCHEMBL16232971

Resources

Reference

ChEMBL

CHEMBL4297675

FDA SRS

L10K286T2H

SureChEMBL

SCHEMBL16232971

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

RALANITEN ACETATE

Structure

Physicochemical Descriptors

Cross References