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Also known as: 88699-84-7, 61747-22-6, (ne)-n-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine, X5002xn6wq, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone oxime, N-(5-methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (e)-
Molecular Formula
C13H16F3NO2
Molecular Weight
275.27  g/mol
InChI Key
UDCRPPVSQRFBKJ-SFQUDFHCSA-N
FDA UNII
X5002XN6WQ

CAS 88699-84-7
1 2D Structure

CAS 88699-84-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(NE)-N-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine
2.1.2 InChI
InChI=1S/C13H16F3NO2/c1-19-9-3-2-4-12(17-18)10-5-7-11(8-6-10)13(14,15)16/h5-8,18H,2-4,9H2,1H3/b17-12+
2.1.3 InChI Key
UDCRPPVSQRFBKJ-SFQUDFHCSA-N
2.1.4 Canonical SMILES
COCCCCC(=NO)C1=CC=C(C=C1)C(F)(F)F
2.1.5 Isomeric SMILES
COCCCC/C(=N\O)/C1=CC=C(C=C1)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
X5002XN6WQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 88699-84-7

2. 61747-22-6

3. (ne)-n-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine

4. X5002xn6wq

5. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Oxime

6. N-(5-methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (e)-

7. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-oneoxime

8. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Oxime(fluvoxamine Impurity)

9. 1-pentanone-5-methoxy-1-[4-(trifluoromethyl)phenyl]-oxime

10. 1-pentanone,5-methoxy-1-[4-(trifluoromethyl)phenyl]-, Oxime, (1e)-

11. Unii-x5002xn6wq

12. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one Oxime

13. Schembl16220739

14. Zinc22007134

15. Des(ethylamine) Fluvoxamine Oxime

16. D96090

17. 747m226

18. A868643

19. Fluvoxamine Maleate Impurity I [ep Impurity]

20. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanoneoxime

21. 1-pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, Oxime, (1e)-

22. Fluvoxamine Maleate Impurity, 5-methoxy-4'-(trifluoromethyl)valerophenone Oxime- [usp Impurity]

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 275.27 g/mol
Molecular Formula C13H16F3NO2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass275.11331324 g/mol
Monoisotopic Mass275.11331324 g/mol
Topological Polar Surface Area41.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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