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Chemistry

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Also known as: 1949-19-5, Oxolamine monophosphate, 131378-45-5, Dmg78ue3pu, N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine phosphate, 1,2,4-oxadiazole-5-ethanamine, n,n-diethyl-3-phenyl-, phosphate (1:1)
Molecular Formula
C14H22N3O5P
Molecular Weight
343.32  g/mol
InChI Key
PSCWWFOVTFSDGZ-UHFFFAOYSA-N
FDA UNII
DMG78UE3PU

Oxolamine Phosphate
1 2D Structure

Oxolamine Phosphate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid
2.1.2 InChI
InChI=1S/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)
2.1.3 InChI Key
PSCWWFOVTFSDGZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.OP(=O)(O)O
2.2 Other Identifiers
2.2.1 UNII
DMG78UE3PU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1949-19-5

2. Oxolamine Monophosphate

3. 131378-45-5

4. Dmg78ue3pu

5. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine Phosphate

6. 1,2,4-oxadiazole-5-ethanamine, N,n-diethyl-3-phenyl-, Phosphate (1:1)

7. 5-(2-(diethylamino)ethyl)-3-phenyl-1,2,4-oxadiazole Phosphate

8. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric Acid

9. Unii-dmg78ue3pu

10. Af-438 Phosphate

11. Skf-9976 Phosphate

12. Dtxsid90157017

13. Oxadiazole, 1,2,4-, 5beta-diethylaminoethyl-3-phenyl-, Phosphate

14. Oxolamine Phosphate [who-dd]

15. D08317

16. Q27276484

17. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanaminephosphate

2.4 Create Date
2006-04-28
3 Chemical and Physical Properties
Molecular Weight 343.32 g/mol
Molecular Formula C14H22N3O5P
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass343.12970781 g/mol
Monoisotopic Mass343.12970781 g/mol
Topological Polar Surface Area120 Ų
Heavy Atom Count23
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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28-Jan-2021
10-Apr-2023
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