Basic information
- CAS
13993-65-2- Standard SMILES
CN1c2ccccc2Sc2ccc(CC(=O)O)cc21- InChIKey
LMINNBXUMGNKMM-UHFFFAOYSA-N- Molecular formula
- C15H13NO2S
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.06669983
Overview
Metiazinic acid is phenothiazine substituted at nitrogen by a methyl group and at C-2 by a carboxymethyl group. It has a role as a non-steroidal anti-inflammatory drug and a drug allergen. It is functionally related to a 10H-phenothiazine.
Names & identifiers
- Preferred name
- Metiazinic Acid
- IUPAC
- 2-(10-methylphenothiazin-2-yl)acetic acid
- English name
- metiazinic acid
- Molecular formula
- C15H13NO2S
- Molecular weight
- 271.33
Names & synonyms
metiazinic acid13993-65-2Methiazinic acidAcido metiazinicoAcide metiazinique10-Methylphenothiazine-2-acetic acidAcidum metiazinicumRP 16091N-Methyl-3-phenothiazinylacetic acid(10-methyl-10H-phenothiazin-2-yl)acetic acid(10-Methyl-2-phenothiazinyl)acetic acid2-(10-Methyl-2-phenothiazinyl)essigsaeure
Show more names
MetianSoripalAmbrunateNovartrilSoridermalMetiazinic(10-METHYL2-PHENOTHIAZINYL)ACETICACID10H-Phenothiazine-2-acetic acid, 10-methyl-
CHEBI:3183812I0HHE2ZYRP-16091DTXSID7023308Bayer-4512RefChem:925822DTXCID10330810-methyl-2-phenothiazinylacetic acid
Database identifiers
- CAS
13993-65-2- PubChem CID
- 4164
- DTXSID
DTXSID7023308
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 146 ℃ · 146℃
- Boiling point
- 482.6 · 482.6±44.0 °C(Predicted)
- Density
- 1.2237 · 1.2237 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- pka
- 4.12 · 4.12±0.10(Predicted)
- Water Solubility
- 31 mg/L · 31mg/L(30 ºC)
- FDA UNII
- 12 I0HHE2ZY · 12I0HHE2ZY
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 800, ~500 orally (Joulou)
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, rats (mg/kg): 800, ~500 orally (Joulou)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Phenothiazine substituted at nitrogen by a methyl group and at C-2 by a carboxymethyl group.
Related reactions
1 records
Compound notes
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