CIMETROPIUM BROMIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03BB05
UNII: 0C7M5WE60Q

Structure
InChI Key WDURTRGFUGAJHA-GSWUYBTGSA-M
Smile C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105977
FDA SRS 0C7M5WE60Q
SureChEMBL SCHEMBL26842
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