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Structure

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid hydrochloride

CAS
1305320-63-1
Catalog Number
ACM1305320631
Category
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What is the PubChem CID of the compound?

The PubChem CID of the compound is 71432808.

What is the molecular formula of the compound?

The molecular formula of the compound is C26H32Cl2N2O2.

What are the synonyms of the compound?

The synonyms of the compound are 1305320-63-1, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochloride, 4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid hydrochloride, 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid Hydrochlori, and 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid;hydrochloride.

What is the molecular weight of the compound?

The molecular weight of the compound is 475.4 g/mol.

What is the parent compound of the compound?

The parent compound of the compound is CID 25058455.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid;hydrochloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C26H31ClN2O2.ClH/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31;/h3-10H,11-18H2,1-2H3,(H,30,31);1H.

What is the InChIKey of the compound?

The InChIKey of the compound is KKJDHOMITBURAP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)C.Cl.

What is the CAS number of the compound?

The CAS number of the compound is 1305320-63-1.

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