Basic information
- CAS
968-46-7- Standard SMILES
CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
BUEPKUNNPRRSKV-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
- IUPAC
- 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
- English name
- 2-(dimethylamino)ethyl phenylglycolate
- Molecular formula
- C18H21NO3
- Molecular weight
- 299.36
Names & synonyms
968-46-7Benzacine953Y1ZS49K2-(Dimethylamino)ethylbenzilateDTXSID40242508RefChem:909424DTXCID00164999dimethylaminoethyldiphenylhydroxyacetate2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetateDeanol benzilate2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate2-Dimethylaminoethyl Benzilate
Show more names
Benzeneacetic acid, α-hydroxy-α-phenyl-, 2-(dimethylamino)ethyl esterAmedinePropinox Impurity 1Pargeverine Hydroxy Impurity2-(dimethylamino)ethyl phenylglycolateDiphenylglycolic acid 2-(dimethylamino)ethyl ester
2-(dimethylamino)ethyl hydroxy(diphenyl)acetateDenaverine Impurity 2UNII-953Y1ZS49KEINECS 213-528-3CBMicro_010938DivK1c_004554SCHEMBL8134339N,N-dimethylaminoethyl benzilate
Database identifiers
- CAS
968-46-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 91 · 91-92 °C
- Boiling point
- 380.8 · 380.8±21.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.3 · 11.30±0.29(Predicted)
- form
- Solid
- color
- Off-White
- FDA UNII
- 953 Y1ZS49K · 953Y1ZS49K
Chemistry & industry
Applications
Uses2-Dimethylaminoethyl Benzilate is an intermediate in the synthesis of Propinox (P771500), an antispasmodic agent used in the treatment of moderate to severe colic pain of biliary origin.
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海孚一生物科技有限公司18096642264 18096642264 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
1 records
Compound notes
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