Basic information
- CAS
26162-66-3- Standard SMILES
CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C.O=C(O)CC(CO)(C(=O)[O-])C(=O)O- InChIKey
SAEPNWJRCLSHAR-UHFFFAOYSA-N- Molecular formula
- C22H33NO10
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.21044625
Names & identifiers
- Preferred name
- Morisylyte citrate
- IUPAC
- 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate
- English name
- [2-(4-acetoxy-2-isopropyl-5-methylphenoxy)ethyl]dimethylammonium dihydrogen -2-hydroxypropane-1,2,3-tricarboxylate
- Molecular formula
- C22H33NO10
- Molecular weight
- 471.49812
Names & synonyms
Morisylyte citrateDTXSID70180782RefChem:1089846DTXCID1010327326162-66-3EINECS 247-489-9Citrate de acetoxy-thymoxy-ethyl-dimethylamine [French]5-(2-(N,N-Dimethylamino)ethoxy)carvacrol acetate citrateCitrate de acetoxy-thymoxy-ethyl-dimethylamineCARVACROL, 5-(2-(N,N-DIMETHYLAMINO)ETHOXY)-, ACETATE (ester), CITRATE(2-(4-Acetoxy-2-isopropyl-5-methylphenoxy)ethyl)dimethylammonium dihydrogen -2-hydroxypropane-1,2,3-tricarboxylate2-[4-(Acetyloxy)-5-methyl-2-(propan-2-yl)phenoxy]-N,N-dimethylethan-1-aminium 2-carboxy-2-(carboxymethyl)-3-hydroxypropanoate
Show more names
[2-(4-acetoxy-2-isopropyl-5-methylphenoxy)ethyl]dimethylammonium dihydrogen -2-hydroxypropane-1,2,3-tricarboxylate[2-(4-acetoxy-2-isopropyl-5-methylphenoxy)ethyl]dimethylammonium dihydrogen -2-hydroxypropane-1,2,3-tricarboxylate
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 544
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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