| Stereochemistry | RACEMIC |
| Molecular Formula | C20H31NO2.ClH |
| Molecular Weight | 353.927 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=WIELVDXKOYPANK-UHFFFAOYSA-N
InChI=1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H
| Molecular Formula | C20H31NO2 |
| Molecular Weight | 317.4656 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Drofenine, product name Spasmo-Cibalgin (Novartis, Oman), is an antispasmodic/anticholinergic agent used for relaxing smooth muscle, treating dysmenorrhea, and relieving pain in the gastrointestinal tract, biliary passages, and urogenital tract. The possible therapeutic effect of drofenine is proposed by its activation of transient receptor potential vanilloid-3 (TRPV3), a member of the TRPV subfamily of TRP ion channels.
Approval Year
PubMed
Sample Use Guides
Drofenine, was selective for TRPV3 in that activation of TRPA1, M8, V1, V2, and V4, which are known to be activated by the TRPV3 agonists 2-APB and/or carvacrol, was not observed at concentrations up to 1 mmol/L. A detectable change in TRPV3 activity was observed at concentrations as low as 30 μmol/L and increased in a concentration-dependent manner. At concentrations greater than 500 μmol/L, calcium flux exhibited some evidence of TRPV3 independence based on small and comparable responses in both native HEK-293 cells and other TRP channel overexpressing cell lines. The maximum change in cytosolic calcium (ΔF) for drofenine (EC50 = 207 μmol/L) was comparable to the known TRPV3 agonists 2-APB (EC50 = 78 μmol/L) and carvacrol (EC50 = 438 μmol/L).
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
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