Neotropine hydrochloride
Basic information
- CAS
6018-73-1- Standard SMILES
CCN(CC)CCOC(=O)C(c1cccs1)C1C=CCC1.Cl- InChIKey
AHQNGNZKLOGVHO-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2S
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1372779
Names & identifiers
- Preferred name
- Neotropine hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-thiophen-2-ylacetate;hydrochloride
Names & synonyms
NEOTROPINE HYDROCHLORIDE92A7I653OC6018-73-1UNII-92A7I653OCNIOSH/XM7605000DTXSID1013804742-Thiopheneacetic acid, alpha-(2-(2-(diethylamino)ethyl)-2-cyclopenten-1-yl)-, hydrochloride (1:1)7558-84-1XM76050000Q272714882-(diethylamino)ethyl 2-cyclopenten-1-yl(2-thienyl)acetate hydrochloride2-Diethylaminoethyl alpha-(2-cyclopenten-1-yl)-2-thienylacetate hydrochloride
Show more names
2-THIOPHENEACETIC ACID, .ALPHA.-(2-(2-(DIETHYLAMINO)ETHYL)-2-CYCLOPENTEN-1-YL)-, HYDROCHLORIDE (1:1)2-Thiopheneacetic acid, alpha-(2-cyclopenten-1-yl)-, 2-(diethylamino)ethyl ester, hydrochloride2-Thiopheneacetic acid, I+/--2-cyclopenten-1-yl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Database identifiers
- CAS
6018-73-1、7558-84-1- PubChem CID
- 3032007
- DTXSID
DTXSID101380474- UNII
- 92A7I653OC
Properties
Computed structural properties
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…