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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Iridus, Ls 121, Diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;2-hydroxy-2-oxoacetate, 5adb8d9388, Naphtidrofuryl oxalate, Einecs 221-703-0

Molecular Formula

C₂₆H₃₅NO₇

Molecular Weight

473.6 g/mol

InChI Key

SSAJNPNVUYMUCI-UHFFFAOYSA-N

A drug used in the management of peripheral and cerebral vascular disorders. It is claimed to enhance cellular oxidative capacity and to be a spasmolytic. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1310) It may also be an antagonist at 5HT-2 serotonin receptors.

1 2D Structure

Gevatran

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;2-hydroxy-2-oxoacetate

2.1.2 InChI

InChI=1S/C24H33NO3.C2H2O4/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)

2.1.3 InChI Key

SSAJNPNVUYMUCI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC[NH+](CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Artocoron

2. Azunaftil

3. Di Actane

4. Di-actane

5. Dusodril

6. Gvatran

7. Ls 121

8. Ls-121

9. Ls121

10. Nafronyl

11. Nafronyl Oxalate

12. Nafronyloxalate

13. Nafti Puren

14. Nafti Ratiopharm

15. Nafti Von Ct

16. Nafti-puren

17. Nafti-ratiopharm

18. Naftidrofuryl

19. Naftifurin Oxalate

20. Naftilong

21. Naftilux

22. Naftiratiopharm

23. Oxalate, Nafronyl

24. Oxalate, Naftifurin

25. Praxilne

2.2.2 Depositor-Supplied Synonyms

1. Iridus

2. Ls 121

3. Diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;2-hydroxy-2-oxoacetate

4. 5adb8d9388

5. Naphtidrofuryl Oxalate

6. Einecs 221-703-0

7. Nsc 225233

8. Unii-5adb8d9388

9. 2-(diethylamino)ethyl Tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropionate Oxalate (1:1)

10. 2-furanpropanoic Acid, Tetrahydro-alpha-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl Ester, Ethanedioate (1:1)

11. 2-furanpropionic Acid, Tetrahydro-alpha-(1-naphthylmethyl)-, 2-(diethylamino)ethyl Ester, Oxalate (1:1)

12. Diethyl(2-(2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propionyloxy)ethyl)ammonium Hydrogen Oxalate

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₅NO₇
Molecular Weight	473.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	473.24135246 g/mol
Monoisotopic Mass	473.24135246 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	543
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Serotonin Antagonists

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)

Vasodilator Agents

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

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