EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HQI5U1E83E

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HQI5U1E83E


InChI Key	DPNODNPIXASWQY-RPIYSHSISA-N
Smiles	CN1[C@@H]2CC[C@H]1CC(C2)OC3c4ccccc4C=Cc5ncccc35.OC(=O)C=C/C(O)=O
InChI	InChI=1S/C22H24N2O/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21/h2-8,11-12,16-18,22H,9-10,13-14H2,1H3/t16-,17+,18?,22?

InChI Key

DPNODNPIXASWQY-RPIYSHSISA-N

Smiles

CN1[C@@H]2CC[C@H]1CC(C2)OC3c4ccccc4C=Cc5ncccc35.OC(=O)C=C/C(O)=O

InChI

InChI=1S/C22H24N2O/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21/h2-8,11-12,16-18,22H,9-10,13-14H2,1H3/t16-,17+,18?,22?

Property Name	Value
Molecular Formula	C22H24N2O1
Molecular Weight	332.19
AlogP	4.3
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	25.36
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H24N2O1

Molecular Weight

332.19

AlogP

4.3

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

25.36

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	19410-02-7
NORMAN SUSDAT
FDA SRS	HQI5U1E83E

Resources

Reference

CAS NUMBER

19410-02-7

NORMAN SUSDAT

FDA SRS

HQI5U1E83E

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

TROPIRINE

Structure

Physicochemical Descriptors

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