EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2L1YNO4SQJ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2L1YNO4SQJ


InChI Key	IIFRKALDATVOJE-GGAORHGYSA-N
Smiles	CN1CC[C@]2(C)[C@H]1N(C)c3ccc(OC(=O)N4CCc5ccccc5C4)cc23
InChI	InChI=1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1

InChI Key

IIFRKALDATVOJE-GGAORHGYSA-N

Smiles

CN1CC[C@]2(C)[C@H]1N(C)c3ccc(OC(=O)N4CCc5ccccc5C4)cc23

InChI

InChI=1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1

Property Name	Value
Molecular Formula	C23H27N3O2
Molecular Weight	377.21
AlogP	3.61
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	36.02
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C23H27N3O2

Molecular Weight

377.21

AlogP

3.61

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

36.02

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	139314-01-5
NORMAN SUSDAT
FDA SRS	2L1YNO4SQJ

Resources

Reference

CAS NUMBER

139314-01-5

NORMAN SUSDAT

FDA SRS

2L1YNO4SQJ

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

QUILOSTIGMINE

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