Cimetropium bromide

Cimetropium bromide
Clinical data
ATC code	A03BB05 ( WHO );
Identifiers
	IUPAC name 9-Cyclopropylmethyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-methyl-3-oxa-9-azonia-tricyclo[3.3.1.02,4;
CAS Number	51598-60-8 ;
PubChem CID	6917944 ;
UNII	0C7M5WE60Q ;
KEGG	D07099 ;
ChEMBL	ChEMBL2105977 ;
CompTox Dashboard (EPA)	DTXSID10965919 ;
ECHA InfoCard	100.169.259
Chemical and physical data
Formula	C21H28BrNO4
Molar mass	438.362 g·mol−1
	(what is this?) (verify)

Last updated August 07, 2025

Cimetropium bromide is a belladonna derivative. Evidence does not support its use in infantile colic.^[1]

Person

Feature	Value
Number of Hydrogen Acceptors	4
The number of hydrogen donors	1
Number of Rotational Connections	7
Partition coefficient^[2] (-{ALogP)}-	-2,1
Solubility^[3] (-{logS, log(mol/L}-))	-3,6
Polar surface^[4] (-{PSA}-, Å²)	102,1

References

↑ Hall B, Chesters J, Robinson A (February 2012). "Infantile colic: a systematic review of medical and conventional therapies". Journal of Paediatrics and Child Health. 48 (2): 128–37. doi:10.1111/j.1440-1754.2011.02061.x. PMID 21470331.
↑ Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods , doi:10.1021/jp980230o
↑ Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices , doi:10.1021/ci000392t
↑ Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties , doi:10.1021/jm000942e

This drug article relating to the gastrointestinal system is a stub. You can help Wikipedia by expanding it.

This page is based on this Wikipedia article
Text is available under the CC BY-SA 4.0 license; additional terms may apply.
Images, videos and audio are available under their respective licenses.

[1] Hall B, Chesters J, Robinson A (February 2012). "Infantile colic: a systematic review of medical and conventional therapies". Journal of Paediatrics and Child Health. 48 (2): 128–37. doi:10.1111/j.1440-1754.2011.02061.x. PMID 21470331.

[2] Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods , doi:10.1021/jp980230o

[3] Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices , doi:10.1021/ci000392t

[4] Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties , doi:10.1021/jm000942e

[1]

[2]

[3]

[4]

Clinical data

ATC code	A03BB05 ( WHO )
Identifiers
IUPAC name 9-Cyclopropylmethyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-methyl-3-oxa-9-azonia-tricyclo[3.3.1.02,4
CAS Number	51598-60-8 ^Y
PubChem CID	6917944
UNII	0C7M5WE60Q
KEGG	D07099 ^Y
ChEMBL	ChEMBL2105977 ^N
CompTox Dashboard (EPA)	DTXSID10965919
ECHA InfoCard	100.169.259
Chemical and physical data
Formula	C₂₁H₂₈BrNO₄
Molar mass	438.362 g·mol⁻¹
^NY (what is this?) (verify)