EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	17U5T727GW

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

17U5T727GW


InChI Key	VNLZTPINKMHMPX-UHFFFAOYSA-N
Smiles	CCCOC(=O)[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3
InChI	InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17-/m0/s1

InChI Key

VNLZTPINKMHMPX-UHFFFAOYSA-N

Smiles

CCCOC(=O)[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17-/m0/s1

Property Name	Value
Molecular Formula	C19H25N1O4
Molecular Weight	331.18
AlogP	2.65
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	55.84
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H25N1O4

Molecular Weight

331.18

AlogP

2.65

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

55.84

Heavy Atoms

24.0

Resources	Reference
NORMAN SUSDAT
FDA SRS	17U5T727GW
PubChem	75124282
ChemSpider	34988934.0

Resources

Reference

NORMAN SUSDAT

FDA SRS

17U5T727GW

PubChem

75124282

ChemSpider

34988934.0

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

NEOPSEUDOCOCAINE

Structure

Physicochemical Descriptors

Cross References