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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Y6q7d9gl4s, 136634-88-3, Unii-y6q7d9gl4s, Eliprodil hcl, Schembl7212849, Dtxsid40929504

Molecular Formula

C₂₀H₂₄Cl₂FNO

Molecular Weight

384.3 g/mol

InChI Key

KEGURTCZUGQPDI-UHFFFAOYSA-N

FDA UNII

Y6Q7D9GL4S

1 2D Structure

Eliprodil Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol;hydrochloride

2.1.2 InChI

InChI=1S/C20H23ClFNO.ClH/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15;/h1-8,16,20,24H,9-14H2;1H

2.1.3 InChI Key

KEGURTCZUGQPDI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O.Cl

2.2 Other Identifiers

2.2.1 UNII

Y6Q7D9GL4S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Y6q7d9gl4s

2. 136634-88-3

3. Unii-y6q7d9gl4s

4. Eliprodil Hcl

5. Schembl7212849

6. Dtxsid40929504

7. Sl-82.0715 Hcl

8. Sl-82.0715 Hydrochloride

9. Q27294321

10. (+/-)-.alpha.-(p-chlorophenyl)-4-(p-fluorobenzyl)-1-piperidineethanol Hydrochloride

11. 1-(4-chlorophenyl)-2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}ethan-1-ol--hydrogen Chloride (1/1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄Cl₂FNO
Molecular Weight	384.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	383.1218979 g/mol
Monoisotopic Mass	383.1218979 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	359
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2