TA 078
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Basic information
- CAS
85915-86-2- Standard SMILES
COc1ccc(CCNC/C(=C\C(=O)O)C(=O)OCc2ccccc2O)cc1OC- InChIKey
BTPDTWXSQCOJNX-WLHGVMLRSA-N- Molecular formula
- C22H25NO7
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.16310214
Overview
structure given in first source
Names & identifiers
- Preferred name
- TA 078
- IUPAC
- (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
- English name
- TA 078
- Molecular formula
- C22H27NO8
- Molecular weight
- 433.46
Names & synonyms
TA 07885915-86-2TA-078Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-2-hydroxy-, (-)-, (E)-2-butenedioate (2:1) (salt)RefChem:187078(E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid(3,4-Dimethoxyphenethylaminomethyl)-2-hydroxybenzyl alcohol fumarate(3,4-dimethoxyphenethylaminomethyl)-2-hydroxybenzyl alcohol
Database identifiers
- CAS
85915-86-2- PubChem CID
- 6439719
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Chemistry & industry
Applications
DescriptionTA 078 is a hypoglycemic agent that depresses the rise of blood glucose when it is orally administered to glucose-loaded mice.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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