EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	KJZ34B234T
EPA CompTox	DTXSID60956993

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

KJZ34B234T

EPA CompTox

DTXSID60956993


InChI Key	RFWPUUOBQMRONB-UHFFFAOYSA-L
Smiles	[I-].[I-].O=C(OCCOCC[N+](C)(CC)CC)C(C=1C=CC=CC1)[N+]2(C)CCCCC2
InChI	InChI=1/C23H40N2O3.2HI/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25;;/h7,9-10,13-14,22H,5-6,8,11-12,15-20H2,1-4H3;2*1H/q+2;;/p-2

InChI Key

RFWPUUOBQMRONB-UHFFFAOYSA-L

Smiles

[I-].[I-].O=C(OCCOCC[N+](C)(CC)CC)C(C=1C=CC=CC1)[N+]2(C)CCCCC2

InChI

InChI=1/C23H40N2O3.2HI/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25;;/h7,9-10,13-14,22H,5-6,8,11-12,15-20H2,1-4H3;2*1H/q+2;;/p-2

Property Name	Value
Molecular Formula	C23H40N2O3
Molecular Weight	646.11
AlogP	-2.59
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	35.53
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H40N2O3

Molecular Weight

646.11

AlogP

-2.59

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

35.53

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	3562-55-8
NORMAN SUSDAT
FDA SRS	KJZ34B234T
PubChem	24418

Resources

Reference

CAS NUMBER

3562-55-8

NORMAN SUSDAT

FDA SRS

KJZ34B234T

PubChem

24418

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

PIPROCURARIUM IODIDE

Structure

Physicochemical Descriptors

Cross References