EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z9OJ72BM3O

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z9OJ72BM3O


InChI Key	NQNABGBQNMYQOA-FOCLMDBBSA-N
Smiles	CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2C=CC(=O)OC(C)(C)C)C(=O)OCC)CN(C)C
InChI	InChI=1S/C28H38N2O6/c1-9-34-26(32)23-18(3)29-21(17-30(7)8)25(27(33)35-10-2)24(23)20-14-12-11-13-19(20)15-16-22(31)36-28(4,5)6/h11-16,23-24H,9-10,17H2,1-8H3/b16-15+

InChI Key

NQNABGBQNMYQOA-FOCLMDBBSA-N

Smiles

CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2C=CC(=O)OC(C)(C)C)C(=O)OCC)CN(C)C

InChI

InChI=1S/C28H38N2O6/c1-9-34-26(32)23-18(3)29-21(17-30(7)8)25(27(33)35-10-2)24(23)20-14-12-11-13-19(20)15-16-22(31)36-28(4,5)6/h11-16,23-24H,9-10,17H2,1-8H3/b16-15+

Property Name	Value
Molecular Formula	C28H38N2O6
Molecular Weight	498.27
AlogP	4.16
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	9.0
Polar Surface Area	94.5
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C28H38N2O6

Molecular Weight

498.27

AlogP

4.16

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

9.0

Polar Surface Area

94.5

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	108687-08-7
NORMAN SUSDAT
FDA SRS	Z9OJ72BM3O

Resources

Reference

CAS NUMBER

108687-08-7

NORMAN SUSDAT

FDA SRS

Z9OJ72BM3O

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

TELUDIPINE

Structure

Physicochemical Descriptors

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