Basic information
- CAS
61220-69-7- Standard SMILES
O=C(O)Cc1ccc2c(c1)SCc1ccccc1C2=O- InChIKey
KLIVRBFRQSOGQI-UHFFFAOYSA-N- Molecular formula
- C16H12O3S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.05071541
Overview
Tiopinac is a small molecule drug. The usage of the INN stem '-ac' in the name indicates that Tiopinac is a anti-inflammatory agent, ibufenac derivative. Tiopinac has a monoisotopic molecular weight of 284.05 Da.
Names & identifiers
- Preferred name
- Tiopinac
- IUPAC
- 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
- English name
- Tiopinac
- Molecular formula
- C16H12O3S
- Molecular weight
- 284.33
Names & synonyms
TIOPINAC61220-69-7TiopinacoTiopinacum1QX5LNW7CGRS-40974-00-00-0DTXSID80210140RefChem:933094DTXCID80132631dibenzo(b,e)thiepin-3-acetic acid, 6,11-dihydro-11-oxo2-(11-oxo-6,11-dihydrodibenzo[b,e]thiepin-3-yl)acetic acid2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
Show more names
Dibenzo[b,e]thiepin-3-acetic acid, 6,11-dihydro-11-oxo-2-(11-Oxo-6,11-dihydrodibenzo[b,e]thiepin-3-yl)aceticacid
CHEMBL75245RS 40974Tiopinacum [INN-Latin]Tiopinaco [INN-Spanish]UNII-1QX5LNW7CGTiopinac [USAN:INN:BAN]TIOPINAC [USAN]Tiopinac (USAN/INN)
Database identifiers
- CAS
61220-69-7- PubChem CID
- 43585
- DTXSID
DTXSID80210140- ChEMBL
CHEMBL75245- UNII
- 1QX5LNW7CG
- Nikkaji
- J18.531K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 541.3 · 541.3±50.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 4.14 · 4.14±0.10(Predicted)
- color
- White to off-white
- FDA UNII
- 1 QX5LNW7CG · 1QX5LNW7CG
Chemistry & industry
Applications
UsesTiopinac (RS 40974), a dibenzthiepin, is an orally active and highly potent anti-inflammatory and anti-pyretic agent[1].
Suppliers14 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
合亚医药科技（武汉）有限公司15921826072 19071409695 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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