CIMETROPIUM BROMIDE

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Synonyms
Status
Molecule Category Salt-form
ATC A03BB05
UNII 0C7M5WE60Q

Structure

InChI Key WDURTRGFUGAJHA-GSWUYBTGSA-M
Smiles C[N+]1(CC2CC2)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]
InChI
InChI=1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28BrNO4
Molecular Weight 438.36
AlogP 1.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL2105977
FDA SRS 0C7M5WE60Q
SureChEMBL SCHEMBL26842
CONTENTS