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Also known as: 501373-88-2, (s)-hydroxy iloperidone, Unii-7sv1zog031, 7sv1zog031, P-88-8991, (-)-, (s)-1-(4-{3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanol

Molecular Formula

C₂₄H₂₉FN₂O₄

Molecular Weight

428.5 g/mol

InChI Key

SBKZGLWZGZQVHA-INIZCTEOSA-N

FDA UNII

7SV1ZOG031

1 2D Structure

Milsaperidone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol

2.1.2 InChI

InChI=1S/C24H29FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-17,28H,3,8-13H2,1-2H3/t16-/m0/s1

2.1.3 InChI Key

SBKZGLWZGZQVHA-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

7SV1ZOG031

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 501373-88-2

2. (s)-hydroxy Iloperidone

3. Unii-7sv1zog031

4. 7sv1zog031

5. P-88-8991, (-)-

6. (s)-1-(4-{3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanol

7. Milsaperidone (usan)

8. Milsaperidone [usan]

9. (1s)-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol

10. Milsaperidone

11. Benzenemethanol, 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-alpha-methyl-, (alphas)-

12. Milsaperidone [inn]

13. Schembl1566323

14. Vhx896

15. Vhx-896

16. Sbkzglwzgzqvha-inizcteosa-n

17. D13099

18. (-)-p-88-8991

19. Q27268802

20. (

21. As)-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-

22. A-methylbenzenemethanol

23. (alphas)-4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-alpha-methylbenzenemethanol

24. (s)-1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethan-1-ol

25. (s)-1-[4-{3-[4-(6-fluoro-benzo(d)isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxv-phenyl]-ethanol

26. (s)-1-[4-{3-[4-(6-fluoro-benzo(d)isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl]ethanol

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₉FN₂O₄
Molecular Weight	428.5 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	68
Heavy Atom Count	31
Formal Charge	0
Complexity	548
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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