EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	83C78V3OL9
EPA CompTox	DTXSID30162246

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

83C78V3OL9

EPA CompTox

DTXSID30162246


InChI Key	RDJGWRFTDZZXSM-RNWLQCGYSA-N
Smiles	CN1CC[C@]23[C@H]4Oc5c(OCc6ccccc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
InChI	InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3/t17-,18+,19-,23-,24-/m0/s1

InChI Key

RDJGWRFTDZZXSM-RNWLQCGYSA-N

Smiles

CN1CC[C@]23[C@H]4Oc5c(OCc6ccccc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35

InChI

InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3/t17-,18+,19-,23-,24-/m0/s1

Property Name	Value
Molecular Formula	C24H25N1O3
Molecular Weight	375.18
AlogP	3.07
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	41.93
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H25N1O3

Molecular Weight

375.18

AlogP

3.07

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

41.93

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	14297-87-1
NORMAN SUSDAT
FDA SRS	83C78V3OL9
PubChem	5362507
ChemSpider	4515062.0

Resources

Reference

CAS NUMBER

14297-87-1

NORMAN SUSDAT

FDA SRS

83C78V3OL9

PubChem

5362507

ChemSpider

4515062.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZYLMORPHINE

Structure

Physicochemical Descriptors

Cross References