Basic information
- CAS
5169-78-8- Standard SMILES
CN1CCCC(=C(c2cccs2)c2cccs2)C1- InChIKey
JWIXXNLOKOAAQT-UHFFFAOYSA-N- Molecular formula
- C15H17NS2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.08024189
Overview
Tipepidine is a member of piperidines.
Names & identifiers
- Preferred name
- Tipepidine
- IUPAC
- 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine
- English name
- tipepidine
- Molecular formula
- C15H17NS2
- Molecular weight
- 275.43
Names & synonyms
Tipepidine5169-78-8TipepidinaAT 327CR/662TipepidinumDTXSID2022626AT-327CRJ6622260ZP67ITCR-662DTXCID402626
Show more names
Brn 0212554tipepidine USP/EP/BP3-(Dithien-2-ylmethylene)-1-methylpiperidine3-(Di-2-thienylmethylene)-1-methyl-piperidine1-Methyl-3-piperidylidenedi(2-thienyl)methanePiperidine, 3-(di-2-thienylmethylene)-1-methyl-
3-[bis(thiophen-2-yl)methylidene]-1-methylpiperidine3-(bis(thiophen-2-yl)methylidene)-1-methylpiperidineRefChem:190102R05DB243-(Di-2-thienylmethylene)-1-methylpiperidine3-(dithiophen-2-ylmethylidene)-1-methylpiperidineTipedineBitiodin
Database identifiers
- CAS
5169-78-8- PubChem CID
- 5484
- DTXSID
DTXSID2022626- ChEMBL
CHEMBL1899506- ChEBI
CHEBI:135141- UNII
- 2260ZP67IT
- Nikkaji
- J9.635K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 64 · 64-65°
- Boiling point
- 4 · bp4-5 178-184°
- Density
- 1.1947 · 1.1947 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 8.23 · 8.23±0.20(Predicted)
- form
- Solid
- color
- White to light yellow
- FDA UNII
- 2260 ZP67IT · 2260ZP67IT
- ATC code
- 5 DB24 · R05DB24
- Toxicity
- 50 in · LD50 in mice (mg/kg): 294 i.p.; 308 i.m.; 867 orally (Higaki)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (mg/kg): 294 i.p.; 308 i.m.; 867 orally (Higaki)
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉鹏胤药业有限公司13163333255 · [email protected]
杭州泛凯科技有限公司86-0571-87649320 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北威德利化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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