EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	X3P646A2J0
EPA CompTox	DTXSID1048914

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

X3P646A2J0

EPA CompTox

DTXSID1048914


InChI Key	OOZBZVAQKFGLOL-VYKNHSEDSA-N
Smiles	CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OS(=O)(=O)O
InChI	InChI=1/C17H19NO3.H2O4S/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4)

InChI Key

OOZBZVAQKFGLOL-VYKNHSEDSA-N

Smiles

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

InChI

InChI=1/C17H19NO3.H2O4S/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4)

Property Name	Value
Molecular Formula	C17H21NO7S
Molecular Weight	383.1
AlogP	0.55
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	127.53
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C17H21NO7S

Molecular Weight

383.1

AlogP

0.55

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

127.53

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	6211-15-0
NORMAN SUSDAT
FDA SRS	X3P646A2J0

Resources

Reference

CAS NUMBER

6211-15-0

NORMAN SUSDAT

FDA SRS

X3P646A2J0

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

MORPHINE SULPHATE

Structure

Physicochemical Descriptors

Cross References