EcoDrugPlus


Synonyms	Dicetel LAT-1717 Pinaverium bromide
Status
Molecule Category	Salt-form
UNII	7SCF54H12J
EPA CompTox	DTXSID2048614
Parent Compound:	PINAVERIUM

Synonyms

Dicetel

LAT-1717

Pinaverium bromide

Status

Molecule Category

Salt-form

UNII

7SCF54H12J

EPA CompTox

DTXSID2048614

Parent Compound:

PINAVERIUM


InChI Key	IKGXLCMLVINENI-UHFFFAOYSA-M
Smiles	COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-]
InChI	InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

InChI Key

IKGXLCMLVINENI-UHFFFAOYSA-M

Smiles

COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-]

InChI

InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C26H41Br2NO4
Molecular Weight	591.43
AlogP	5.29
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	36.92
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C26H41Br2NO4

Molecular Weight

591.43

AlogP

5.29

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

36.92

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

32.0

Resources	Reference
ChEMBL	CHEMBL1909298
FDA SRS	7SCF54H12J
PubChem	40703
SureChEMBL	SCHEMBL25474

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

PINAVERIUM BROMIDE

Structure

Physicochemical Descriptors

Cross References