EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	32W9P3T4ML
EPA CompTox	DTXSID8046327

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

32W9P3T4ML

EPA CompTox

DTXSID8046327


InChI Key	HKOIXWVRNLGFOR-KOFBORESSA-N
Smiles	COc1ccc2C[C@H]3NCC[C@@]45C(Oc1c24)C(O)C=CC35
InChI	InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1

InChI Key

HKOIXWVRNLGFOR-KOFBORESSA-N

Smiles

COc1ccc2C[C@H]3NCC[C@@]45C(Oc1c24)C(O)C=CC35

InChI

InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1

Property Name	Value
Molecular Formula	C17H19N1O3
Molecular Weight	285.14
AlogP	1.16
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	50.72
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H19N1O3

Molecular Weight

285.14

AlogP

1.16

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

50.72

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	467-15-2
NORMAN SUSDAT
FDA SRS	32W9P3T4ML
PubChem	9925873
ChemSpider	8101508.0

Resources

Reference

CAS NUMBER

467-15-2

NORMAN SUSDAT

FDA SRS

32W9P3T4ML

PubChem

9925873

ChemSpider

8101508.0

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

NORCODEINE

Structure

Physicochemical Descriptors

Cross References