EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8Y88CP83MK
EPA CompTox	DTXSID601024166

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8Y88CP83MK

EPA CompTox

DTXSID601024166


InChI Key	TZBDXWBBMOEVPI-XBQQDWOSSA-N
Smiles	O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)COC(=O)C6CC6)C4(C)CC(O)C32F)(C)C)C
InChI	InChI=1/C28H34F2O7/c1-24(2)36-22-11-16-17-10-19(29)18-9-15(31)7-8-25(18,3)27(17,30)20(32)12-26(16,4)28(22,37-24)21(33)13-35-23(34)14-5-6-14/h7-9,14,16-17,19-20,22,32H,5-6,10-13H2,1-4H3

InChI Key

TZBDXWBBMOEVPI-XBQQDWOSSA-N

Smiles

O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)COC(=O)C6CC6)C4(C)CC(O)C32F)(C)C)C

InChI

InChI=1/C28H34F2O7/c1-24(2)36-22-11-16-17-10-19(29)18-9-15(31)7-8-25(18,3)27(17,30)20(32)12-26(16,4)28(22,37-24)21(33)13-35-23(34)14-5-6-14/h7-9,14,16-17,19-20,22,32H,5-6,10-13H2,1-4H3

Property Name	Value
Molecular Formula	C28H34F2O7
Molecular Weight	520.23
AlogP	3.33
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	99.13
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C28H34F2O7

Molecular Weight

520.23

AlogP

3.33

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

99.13

Heavy Atoms

37.0

Resources	Reference
CAS NUMBER	58524-83-7
NORMAN SUSDAT
FDA SRS	8Y88CP83MK
PubChem	11954352

Resources

Reference

CAS NUMBER

58524-83-7

NORMAN SUSDAT

FDA SRS

8Y88CP83MK

PubChem

11954352

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

CIPROCINONIDE

Structure

Physicochemical Descriptors

Cross References