EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F03W3WUW58
EPA CompTox	DTXSID4046230

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F03W3WUW58

EPA CompTox

DTXSID4046230


InChI Key	SKQDKFOTIPJUSV-UHFFFAOYNA-N
Smiles	Cc1c(OCC(O)CNCCOc2ccc(cc2)C(=O)N)cccc1
InChI	InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/t16-/m0/s1

InChI Key

SKQDKFOTIPJUSV-UHFFFAOYNA-N

Smiles

Cc1c(OCC(O)CNCCOc2ccc(cc2)C(=O)N)cccc1

InChI

InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/t16-/m0/s1

Property Name	Value
Molecular Formula	C19H24N2O4
Molecular Weight	344.17
AlogP	1.5
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	93.81
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H24N2O4

Molecular Weight

344.17

AlogP

1.5

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

93.81

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	38103-61-6
NORMAN SUSDAT
FDA SRS	F03W3WUW58
ChemSpider	34753.0

Resources

Reference

CAS NUMBER

38103-61-6

NORMAN SUSDAT

FDA SRS

F03W3WUW58

ChemSpider

34753.0

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

TOLAMOLOL

Structure

Physicochemical Descriptors

Cross References