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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 1 USDMF, 1 Listed Suppliers

2 API Suppliers
1 USDMF
1 Listed Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Vasoklin, Opilon, M-101, Moxisylyte hcl, Wv 365, Wk2kzm9v6x

Molecular Formula

C₁₆H₂₆ClNO₃

Molecular Weight

315.83 g/mol

InChI Key

IPWGSXZCDPTDEH-UHFFFAOYSA-N

1 2D Structure

Arlitene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride

2.1.2 InChI

InChI=1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H

2.1.3 InChI Key

IPWGSXZCDPTDEH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Vasoklin

2. Opilon

3. M-101

4. Moxisylyte Hcl

5. Wv 365

6. Wk2kzm9v6x

7. Enfrental

8. Limatene

9. 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride

10. [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] Acetate;hydron;chloride

11. 5-(2-(n,n-dimethylamino)ethoxy)carvacrol Acetate Hydrochloride

12. Einecs 213-519-4

13. Nsc 170448

14. Unii-wk2kzm9v6x

15. Dtxsid9046946

16. Chlorhydrate De Acetoxy-thymoxy-ethyl-dimethylamine [french]

17. (2-(4-acetoxy-2-isopropyl-5-methylphenoxy)ethyl)dimethylamine Hydrochloride

18. Carvacrol, 5-(2-(dimethylamino)ethoxy)-, Acetate (ester), Hydrochloride

19. Carvacrol, 5-(2-(n,n-dimethylamino)ethoxy)-, Acetate, Hydrochloride

20. Phenol, 4-(2-(dimethylamino)ethoxy)-2-methyl-5-(1-methylethyl)-, Acetate (ester), Hydrochloride

21. Chlorhydrate De Acetoxy-thymoxy-ethyl-dimethylamine

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₆ClNO₃
Molecular Weight	315.83 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	315.1601214 g/mol
Monoisotopic Mass	315.1601214 g/mol
Topological Polar Surface Area	40 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	304
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2