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| CAS No.: | 51598-60-8 |
|---|---|
| Name: | Cimetropium bromide |
| Molecular Structure: | |
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| Formula: | C21H28BrNO4 |
| Molecular Weight: | 438.362 |
| Synonyms: | 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,9-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide,[7(S)-(1a,2b,4b,5a,7b)]-;3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,9-(cyclopropylmethyl)-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, bromide,(1a,2b,4b,5a,7b)- (9CI);Alginor; |
| EINECS: | 641-412-6 |
| Melting Point: | 174° |
| PSA: | 59.06000 |
| LogP: | -1.19430 |
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Chemistry
Molecule structure of Cimetropium bromide (CAS NO.51598-60-8):
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Molecular Weight: 438.35532 g/mol
Molecular Formula: C21H28BrNO4
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 437.120171
MonoIsotopic Mass: 437.120171
Topological Polar Surface Area: 59.1
Heavy Atom Count: 27
Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)CC5CC5.[Br-]
InChIKey: WDURTRGFUGAJHA-PVWAJAEQSA-M
Classification Code: Autonomic Agents; Parasympatholytics; Peripheral Nervous System Agents
Uses
Cimetropium bromide (CAS NO.51598-60-8) is used for gallstone colic, renal colic, gastrointestinal spasm pain, biliary and urinary tract spasm pain, dysmenorrhea, labor pain.
Specification
Cimetropium bromide (CAS NO.51598-60-8) is also named as (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-9-(Cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane bromide ; 8-(Cyclopropylmethyl)-6beta,7beta-epoxy-3alpha-((S)-tropoyl)-1alphaH,5alphaH-tropanium bromid ; 8-(Cyclopropylmethyl)-6beta,7beta-epoxy-3alpha-hydroxy-1alphaH,5alphaH-tropanium bromide, (-)-(S)-tropate ; Alginor ; Bromure de cimetropium ; Bromure de cimetropium [French] ; Bromuro de cimetropio ; Bromuro de cimetropio [Spanish] ; Cimetropii bromidum ; Cimetropii bromidum [Latin] ; UNII-0C7M5WE60Q .