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Prestwick3_000311

Prestwick3_000311

Synopsis, Chemistry

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Also known as: Ifenprodil tartrate salt, 23210-58-4, Ifenprodil hemitartrate, Prestwick_623, 2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol hemitartrate, Prestwick0_000311

Molecular Formula

C₂₅H₃₃NO₈

Molecular Weight

475.5 g/mol

InChI Key

FFYMSFGBEJMSFP-UHFFFAOYSA-N

1 2D Structure

Prestwick3_000311

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C21H27NO2.C4H6O6/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)

2.1.3 InChI Key

FFYMSFGBEJMSFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol

2. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol

3. 61 91 Rc

4. Alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine Ethanol

5. Ifenprodil

6. Ifenprodil Hydrochloride

7. Ifenprodil Hydrochloride, (+-)-isomer

8. Ifenprodil Tartrate (1:1), (r*,s*)-(+-)-(r-(r*,r*))-isomer

9. Ifenprodil Tartrate (1:1), (r-(r*,r*))-isomer

10. Ifenprodil Tartrate (2:1), (r-(r*,r*))-isomer

11. Ifenprodil, (r*,s*)-(+-)-isomer

12. Ifenprodil, Tartrate(r-(r*,r*))-isomer

13. Vadilex

2.2.2 Depositor-Supplied Synonyms

1. Ifenprodil Tartrate Salt

2. 23210-58-4

3. Ifenprodil Hemitartrate

4. Prestwick_623

5. 2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol Hemitartrate

6. Prestwick0_000311

7. Prestwick1_000311

8. Prestwick2_000311

9. Prestwick3_000311

10. Lopac0_000661

11. Bspbio_000302

12. Mls000069744

13. Schembl364019

14. Spbio_002521

15. Bpbio1_000334

16. Chembl1256662

17. Hms1568p04

18. Hms2095p04

19. Hms2231m13

20. Hms3369e02

21. Hms3712p04

22. Ccg-220311

23. Ac-33093

24. Smr000058797

25. 210i584

26. Http://www.dcchemicals.com/product_show-dc23902.html

27. Sr-01000075169-10

28. 4-[(1r*,2s*)-2-(4-benzyl-piperidin-1-yl)-1-hydroxy-propyl]-pheno

29. 4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol 2,3-dihydroxysuccinate

30. 4-[2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenol; 2,3-dihydroxybutanedioic Acid

31. 1-piperidineethanol, .alpha.-(4-hydroxyphenyl)-.beta.-methyl-4-(phenylmethyl)-, 2,3-dihydroxybutanedioate (1:1) (salt)

2.3 Create Date

2006-04-14

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₃NO₈
Molecular Weight	475.5 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	475.22061701 g/mol
Monoisotopic Mass	475.22061701 g/mol
Topological Polar Surface Area	159 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Excitatory Amino Acid Antagonists

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists. (See all compounds classified as Excitatory Amino Acid Antagonists.)

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

Adrenergic alpha-Antagonists

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)