Basic information
- CAS
98330-05-3- Standard SMILES
Clc1cccc(SC2CCNCC2)n1- InChIKey
GGALEXMXDMUMDM-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2S
- Average molar mass
- 228.74 g/mol
- Monoisotopic mass
- 228.0487973
Overview
2-chloro-6-(4-piperidinylthio)pyridine is an aryl sulfide.
Names & identifiers
- Preferred name
- Anpirtoline
- IUPAC
- 2-chloro-6-piperidin-4-ylsulfanylpyridine
- English name
- ANPIRTOLINE HYDROCHLORIDE
- Molecular formula
- C10H13ClN2S
- Molecular weight
- 228.74
Names & synonyms
Anpirtoline98330-05-3AnpirtolinaAnpirtolinumDTXSID704565932K9S228IKDTXCID50256596-chlor-2-(piperidyl-4-thio)pyridine6-chloro-2-(piperidyl-4-thiol)pyridineRefChem:112921D-16949Anpirtoline free base
Show more names
AnpirtolineHClUnii-32K9S228ikANPIRTOLINE HYDROCHLORIDE
Anpirtoline [INN]4-((6-Chloro-2-pyridyl)thio)piperidine2-chloro-6-piperidin-4-ylsulfanylpyridine2-Chloro-6-(piperidin-4-ylthio)pyridineNCGC00024740-02Anpirtolinum [Latin]Anpirtolina [Spanish]CAS-98330-05-3
Database identifiers
- CAS
98330-05-3- PubChem CID
- 65854
- DTXSID
DTXSID7045659- ChEMBL
CHEMBL1316374- ChEBI
CHEBI:92968- UNII
- 32K9S228IK
- Nikkaji
- J315.574I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- storage temp.
- 4 °C · Desiccate at +4°C
- FDA UNII
- 32 K9S228IK · 32K9S228IK
Chemistry & industry
Applications
UsesAnpirtoline Hydrochloride is a SR-1B agonist.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2-chloro-6-(4-piperidinylthio)pyridine is an aryl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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