EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9NZ7111A9O

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9NZ7111A9O


InChI Key	HLMSIZPQBSYUNL-IPOQPSJVSA-N
Smiles	C1CC2(C3CC4=C5C2(CCN3)C(C1=O)OC5=C(C=C4)O)O
InChI	InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1

InChI Key

HLMSIZPQBSYUNL-IPOQPSJVSA-N

Smiles

C1CC2(C3CC4=C5C2(CCN3)C(C1=O)OC5=C(C=C4)O)O

InChI

InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1

Property Name	Value
Molecular Formula	C16H17N1O4
Molecular Weight	287.12
AlogP	0.4
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Polar Surface Area	78.79
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H17N1O4

Molecular Weight

287.12

AlogP

0.4

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Polar Surface Area

78.79

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	33522-95-1
NORMAN SUSDAT
FDA SRS	9NZ7111A9O
PubChem	5497189
ChemSpider	4593755.0

Resources

Reference

CAS NUMBER

33522-95-1

NORMAN SUSDAT

FDA SRS

9NZ7111A9O

PubChem

5497189

ChemSpider

4593755.0

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

NOROXYMORPHONE

Structure

Physicochemical Descriptors

Cross References