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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

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Ro 25-6981 hydrochloride	Ro 25-6981 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
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
4-(1R,2S)-3-(4-BENZYLPIPERIDIN-1-YL)-1-HYDROXY-2-METHYLPROPYLPHENOL HYDROCHLORIDE	SR-01000076107

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Experimental Data

Ro 25-6981 hydrochloride

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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

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Experimental Data Visualization

Ro 25-6981 hydrochloride

Statistics Data

Ro 25-6981 hydrochloride

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Statistics Data Visualization

Ro 25-6981 hydrochloride