Basic information
- CAS
6746-91-4- Standard SMILES
C=C(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Cl)cc1.Cl- InChIKey
VHWRAEBQWGGCSL-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2NO2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 341.0949343
Overview
new spasmolytic derivative of atropine
Names & identifiers
- Preferred name
- SK&F 21000
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)prop-2-enoate;hydrochloride
Names & synonyms
SKF 210006746-91-4SK&F 21000SK&F-21000RefChem:1832883-tropanyl-2-(p-chlorophenyl)acrylate.HCl3-Tropanyl 2-(p-chlorophenyl)acrylate hydrochloride3-Tropanyl 4'-chloroatropate hydrochloride4'-Chloroatropic acid, 3-tropanyl ester, hydrochloride1-alpha,5-alpha-Tropan-3-ol, p-chloroatropate (ester), hydrochlorideAtropic acid, p-chloro-, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl ester, hydrochloride3-Tropanyl-2-(p-chlorophenyl)acrylate hydrochloride
Show more names
DTXSID50986729ATROPIC ACID, 4'-CHLORO-, 3-TROPANYL ESTER, HYDROCHLORIDE(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)prop-2-enoate;hydrochlorideAtropic acid, p-chloro-, tropyl ester, hydrochloride8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(4-chlorophenyl)prop-2-enoate--hydrogen chloride (1/1)
Database identifiers
- CAS
6746-91-4- PubChem CID
- 23201
- DTXSID
DTXSID50986729
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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