Basic information
- CAS
3686-58-6- Standard SMILES
CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC- InChIKey
UDKICLZCJWQTLS-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Overview
Tolycaine is an amidobenzoic acid.
Names & identifiers
- Preferred name
- Tolycaine
- IUPAC
- methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate
- English name
- tolycaine
- Molecular formula
- C15H22N2O3
- Molecular weight
- 278.35
Names & synonyms
Tolycaine3686-58-6TolicainaTolycainumDTXSID805772412R8659YM6DTXCID9031513RefChem:190316methyl-2-(2-(diethylamino)acetamido)-m-toluate222-976-9methyl 2-(2-(diethylamino)acetamido)-3-methylbenzoatemethyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate
Show more names
tolycaine USP/EP/BPTolycaine, 10 mM in DMSOTolycaine,anesthetic,inhibit,analog,convulsion,Inhibitor2-[2-(Diethylamino)acetylamino]-m-toluic acid methyl estermethyl 2-[2-(diethylamino)ethanoylamino]-3-methyl-benzoate2-[[2-(diethylamino)acetyl]amino]-3-methyl-benzoic acid methyl ester
MFCD00864442Methyl 2-(2-(diethylamino)acetamido)-m-toluateBenzoic acid, 2-[[(diethylamino)acetyl]amino]-3-methyl-, methyl estermethyl 2-[2-(diethylamino)acetamido]-3-methylbenzoateMethyl 2-[2-(diethylamino)acetamido]-m-toluateTolycaine [INN:BAN]Tolycainum [INN-Latin]Tolicaina [INN-Spanish]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 5 · bp5 190-192°
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO : ≥ 100 mg/mL (359.26 mM)
- pka
- 13.61 · 13.61±0.70(Predicted)
- form
- Liquid
- color
- Light yellow to yellow
- FDA UNII
- 12 R8659YM6 · 12R8659YM6
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesTolicaine has anesthetic properties and is used as a local anesthetic.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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