Basic information
- CAS
2765-97-1- Standard SMILES
C#CCOC(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
RSBGQTFIHFGTSY-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO3
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1444713
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
- IUPAC
- 2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium chloride
- English name
- 2-(dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
- Molecular formula
- C21H24ClNO3
- Molecular weight
- 373.87316
Names & synonyms
2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochlorideSertal2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium;chlorideEINECS 220-439-3UNII-XT63P694CJalpha,alpha-Diphenyl-alpha-propargoxyacetic acid (beta-dimethylaminoethyl)ester hydrochlorideAcetic acid, diphenyl(2-propynyloxy)-, 2-(dimethylamino)ethyl ester, hydrochlorideBenzeneacetic acid, alpha-phenyl-alpha-(2-propynyloxy)-, 2-(dimethylamino)ethyl ester, hydrochlorideBeta-dimethylaminoethyl-alpha,alpha-diphenyl-alpha- propargoxyacetatePropinox Hydrochloride2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium,chloride
Database identifiers
- CAS
2765-97-1- PubChem CID
- 17699
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 162 · 162-163 °C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Light Yellow
- Stability
- Hygroscopic
- InChI
- InChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H
- InChIKey
- RSBGQTFIHFGTSY-UHFFFAOYSA-N
- SMILES
- C(OCCN(C)C)(=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)OCC#C.[H]Cl
- FDA UNII
- 63 P694CJ · XT63P694CJ
Chemistry & industry
Applications
UsesPropinox is an antispasmodic agent. Studies show that Propinox is effective in the treatment of moderate to severe colic pain of biliary origin.
Suppliers27 total
苏州景皓生物科技有限公司18136139868; 18136139868 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
盖米科技（青岛）有限公司19524370118 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海孚一生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…