Compound Summary
Ro 25-6981 hydrochloride
Compound Information
Ro 25-6981 hydrochloride
Compound Name: | Ro 25-6981 hydrochloride |
Compound CID: | 11957690 |
Synonyms: | Ro 25-6981 hydrochloride 919289-58-0 Ro 25-6981 HCl Ro 25-6981 hydrochloride hydrate 4-(1R,2S)-3-(4-BENZYLPIPERIDIN-1-YL)-1-HYDROXY-2-METHYLPROPYLPHENOL HYDROCHLORIDE More... |
Iupac Name: | 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;hydrochloride |
InChI: | InChI=1S/C22H29NO2.ClH/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;/h2-10,17,19,22,24-25H,11-16H2,1H3;1H/t17-,22+;/m0./s1 |
InChIKey: | MKTZWXWTQQOMSH-OTCZLQCGSA-N |
Canonical Smiles: | CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)O.Cl |
Isomeric Smiles: | C[C@@H](CN1CCC(CC1)CC2=CC=CC=C2)[C@H](C3=CC=C(C=C3)O)O.Cl |
Molecular Weight: | 375.9 |
Molecular Formula: | C22H30ClNO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ro 25-6981 hydrochloride
Molecular Weight: | 375.9 |
Molecular Formula: | C22H30ClNO2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 26 |
Complexity: | 366 |
Synonyms
Ro 25-6981 hydrochloride
| Ro 25-6981 hydrochloride | Ro 25-6981 hydrochloride |
|---|---|
Ro 25-6981 hydrochloride |
919289-58-0 |
Ro 25-6981 HCl |
Ro 25-6981 hydrochloride hydrate |
4-(1R,2S)-3-(4-BENZYLPIPERIDIN-1-YL)-1-HYDROXY-2-METHYLPROPYLPHENOL HYDROCHLORIDE |
SR-01000076107 |
4-(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropylphenol;hydrochloride |
EU-0101082 |
ro25-6981 hydrochloride |
MLS002153317 |
SCHEMBL9241534 |
CHEMBL1256726 |
AOB5642 |
DTXSID001017559 |
Tox21_501082 |
CCG-222386 |
LP01082 |
Ro-256981 |
NCGC00094359-01 |
NCGC00261767-01 |
SMR001230731 |
R 7150 |
SR-01000076107-2 |
SR-01000076107-3 |
4-(1R,2S)-3-(4-Benzyl-piperidin-1-yl)-1-hydroxy-2-methyl-propyl-phenol hydrochloride |
(alphar,betas)-alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidinepropanol hydrochloride |
(R-R*,S*)-alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-peperidinepropanol) hydrochloride |
R-(R*,S*)-alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidinepropanol hydrochloride hydrate |
Experimental Data
Ro 25-6981 hydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Ro 25-6981 hydrochloride
Statistics Data
Ro 25-6981 hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.000000000000000 | 1 | 1 |
Statistics Data Visualization
Ro 25-6981 hydrochloride
