EcoDrugPlus


Synonyms	Carbabenzpyride Enisamium iodide
Status
Molecule Category	Salt-form
ATC	J05AX17
UNII	G22FG6Q00B
EPA CompTox	DTXSID00173960

Synonyms

Carbabenzpyride

Enisamium iodide

Status

Molecule Category

Salt-form

ATC

J05AX17

UNII

G22FG6Q00B

EPA CompTox

DTXSID00173960


InChI Key	ILSOAHPXYZRFBA-UHFFFAOYSA-N
Smiles	C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]
InChI	InChI=1S/C14H14N2O.HI/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H

InChI Key

ILSOAHPXYZRFBA-UHFFFAOYSA-N

Smiles

C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-]

InChI

InChI=1S/C14H14N2O.HI/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H

Property Name	Value
Molecular Formula	C14H15IN2O
Molecular Weight	354.19
AlogP	1.44
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	32.98
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H15IN2O

Molecular Weight

354.19

AlogP

1.44

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

32.98

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

17.0

Resources	Reference
ChEMBL	CHEMBL1716983
FDA SRS	G22FG6Q00B

Resources

Reference

ChEMBL

CHEMBL1716983

FDA SRS

G22FG6Q00B

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

ENISAMIUM IODIDE

Structure

Physicochemical Descriptors

Cross References