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2D Structure
Also known as: Dilvax, Ifenprodil tartrate, Ifenprodil l-(+)-tartrate, 66157-43-5, Cerocral, Validex
Molecular Formula
C46H58N2O10-2
Molecular Weight
799.0  g/mol
InChI Key
DMPRDSPPYMZQBT-CEAXSRTFSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioate
2.1.2 InChI
InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(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*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2/t;;1-,2-/m..1/s1
2.1.3 InChI Key
DMPRDSPPYMZQBT-CEAXSRTFSA-L
2.1.4 Canonical SMILES
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.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
2.1.5 Isomeric SMILES
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](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

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

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

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

12. Ifenprodil, (r*,s*)-(+-)-isomer

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

2.2.2 Depositor-Supplied Synonyms

1. Dilvax

2. Ifenprodil Tartrate

3. Ifenprodil L-(+)-tartrate

4. 66157-43-5

5. Cerocral

6. Validex

7. 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2r,3r)-2,3-dihydroxybutanedioate

8. Ifenprodil Tartrate (2:1)

9. Ifenprodil L-(+)-tartrate (2:1)

10. 2-(4-benzyl-piperidino)-1-(4-hydroxyphenyl)-1-propanol Tartrate (2:1)

11. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol Tartrate

12. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidine-ethanol-(l)-(+)-tartrate

13. Piperidineethanol, Alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-, Tartrate (2:1)

14. 1-piperidineethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-, Tartrate (salt) (2:1)

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 799.0 g/mol
Molecular Formula C46H58N2O10-2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass798.40914605 g/mol
Monoisotopic Mass798.40914605 g/mol
Topological Polar Surface Area208 Ų
Heavy Atom Count58
Formal Charge-2
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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.)


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.)


Vasodilator Agents

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