Anpirtolin
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Basic information
- CAS
118688-35-0- Standard SMILES
Cl.Cl[14c]1ccc[14c](SC2CCNCC2)n1- InChIKey
GRXDJABVNGUGCW-AOWJRAKFSA-N- Molecular formula
- C10H14Cl2N2S
- Average molar mass
- 269.19 g/mol
- Monoisotopic mass
- 268.031959
Overview
non-opiate analgesic; structure given in first source; RN given refers to the (14C)-labeled cpd
Names & identifiers
- Preferred name
- Anpirtolin
- IUPAC
- 2-chloro-6-piperidin-4-ylsulfanyl(2,6-14C2)pyridine;hydrochloride
- English name
- anpirtolin
- Molecular formula
- C10H14Cl2N2S
- Molecular weight
- 269.23856
Names & synonyms
Anpirtolin118688-35-0RefChem:112920DTXSID409227522-Chloro-6-(4-piperidinylthio)pyridine-2,6-14C2 monohydrochloridePyridine-2,6-14C2, 2-chloro-6-(4-piperidinylthio)-, monohydrochloridePyridine-2,6-14C2,2-chloro-6-(4-piperidinylthio)-, monohydrochloride2-Chloro-6-[(piperidin-4-yl)sulfanyl](2,6-~14~C_2_)pyridine--hydrogen chloride (1/1)
Database identifiers
- CAS
118688-35-0- PubChem CID
- 164074
- DTXSID
DTXSID40922752
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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