Basic information
- CAS
62952-06-1- Standard SMILES
CC(=O)Oc1ccccc1C(=O)[O-].NC(CCCC[NH3+])C(=O)O- InChIKey
JJBCTCGUOQYZHK-UHFFFAOYSA-N- Molecular formula
- C15H22N2O6
- Average molar mass
- 326.34 g/mol
- Monoisotopic mass
- 326.14778643
Overview
See also: Aspisol (preferred).
Names & identifiers
- Preferred name
- Lysine acetylsalicylate
- IUPAC
- 2-acetyloxybenzoate;(5-amino-5-carboxypentyl)azanium
- English name
- DL-Lysine acetylsalicylate
- Molecular formula
- C9H8O4.C6H14N2O2
- Molecular weight
- 326.35
Names & synonyms
Lysine acetylsalicylateDL-Lysine mono(o-acetoxybenzoate)Aspirin DL-lysine [JAN]2-acetyloxybenzoate;(5-amino-5-carboxypentyl)azaniumAspirin DL-lysine (JAN)Acetyl salicylate lysineAcetylsalicylic acid lysine saltAspirin lysine saltD,L-lysine, 2-(acetyloxy)benzoateDL-Lysine acetylsalicylic acid saltAspegic (TN)EINECS 263-769-3
Show more names
aspisolAspegicEgicalmSolpirinVenopirinVenopyrinAcelysineVetalginaASPIRINLYSINE
Lysine, mono(2-(acetyloxy)benzoate)LYSINE, MONOSALICYLATE ACETATE (ester), DL-L-Lysine, 2-(acetyloxy)benzoate, mixt. with glycineUNII-2JJ274J145AKOS015961792D07580
Database identifiers
- CAS
62952-06-1- PubChem CID
- 44219
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 154 · 154-156°C
- Boiling point
- 464.39 °C · 464.39°C (rough estimate)
- Density
- 1.1829 · 1.1829 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White
- InChI
- InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)
- InChIKey
- JJBCTCGUOQYZHK-UHFFFAOYSA-N
- SMILES
- C(N)(C(=O)O)CCCCN.C(C1C=CC=CC=1OC(=O)C)(=O)O
- CAS DataBase Reference
- 62952 · 62952-06-1(CAS DataBase Reference)
- FDA 21 CFR
- 310.545 · 310.545
- FDA UNII
- 2 JJ274J145 · 2JJ274J145
- EPA Substance Registry System
- Aspirin DL-lysine (62952-06-1)
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
- wgk
- WGK 3
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 4350 mg/kg IYKEDH 13,1128,82
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesNon-steroidal anti-inflammatory drugs (NSAIDs) may inhibit cancer growth. Water soluble, injectable aspirin derivative.Analgesic; antipyretic; anti-inflammatory.
Suppliers100 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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