EcoDrugPlus


Synonyms	BC-51 Distigmine bromide Hexamarium bromide Ubretid Ubritil
Status
Molecule Category	Salt-form
UNII	750F36OP6J

Synonyms

BC-51

Distigmine bromide

Hexamarium bromide

Ubretid

Ubritil

Status

Molecule Category

Salt-form

UNII

750F36OP6J


InChI Key	GJHSNEVFXQVOHR-UHFFFAOYSA-L
Smiles	CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-]
InChI	InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2

InChI Key

GJHSNEVFXQVOHR-UHFFFAOYSA-L

Smiles

CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-]

InChI

InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2

Property Name	Value
Molecular Formula	C22H32Br2N4O4
Molecular Weight	576.33
AlogP	2.46
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	66.84
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C22H32Br2N4O4

Molecular Weight

576.33

AlogP

2.46

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

66.84

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

30.0

Resources	Reference
ChEBI	31512
ChEMBL	CHEMBL1098285
FDA SRS	750F36OP6J
PubChem	27522
SureChEMBL	SCHEMBL148842

Resources

Reference

ChEBI

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

DISTIGMINE BROMIDE

Structure

Physicochemical Descriptors

Cross References