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Chemistry

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Also known as: 1187020-80-9, Lumateperone (tosylate), Iti-007 tosylate, Iti 007, Lumateperone tosylate [usan], Jie88n006o
Molecular Formula
C31H36FN3O4S
Molecular Weight
565.7  g/mol
InChI Key
LHAPOGAFBLSJJQ-GUTACTQSSA-N
FDA UNII
JIE88N006O

Lumateperone Tosylate
1 2D Structure

Lumateperone Tosylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1
2.1.3 InChI Key
LHAPOGAFBLSJJQ-GUTACTQSSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
2.1.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
2.2 Other Identifiers
2.2.1 UNII
JIE88N006O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Iti-007

2. Iti-722

3. Lumateperone

2.3.2 Depositor-Supplied Synonyms

1. 1187020-80-9

2. Lumateperone (tosylate)

3. Iti-007 Tosylate

4. Iti 007

5. Lumateperone Tosylate [usan]

6. Jie88n006o

7. 1-(4-fluorophenyl)-4-[(10r,15s)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic Acid

8. Lumateperone Tosylate (usan)

9. Lumateperone(iti-007)

10. Caplyta

11. Chembl3233142

12. Unii-jie88n006o

13. Caplyta (tn)

14. Schembl1769664

15. Iti-007iti-007

16. Dtxsid701026210

17. Lumateperone Tosylate [who-dd]

18. Cs-5540

19. Ac-36919

20. Bl167386

21. Hy-19733

22. Lumateperone Tosylate [orange Book]

23. D11170

24. A858354

25. Q27281520

26. 1-(4-fluoro-phenyl)-4-((6br,10as)-3-methyl-2,3,6b,9,10,10a-hexahydro-1h,7h-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-butan-1-one Tosylate Salt

27. 1-(4-fluorophenyl)-4-((6br,10as)-3-methyl-2,3,6b,7,10,10a-hexahydro-1h-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(9h)-yl)butan-1-one 4-methylbenzenesulfonate

28. 1-(4-fluorophenyl)-4-((6br,10as)-3-methyl-2,3,6b,9,10,10a-hexahydro-1h-pyrido(3',4':4,5)pyrrolo(1,2,3-de)quinoxalin-8(7h)-yl)butan-1-one 4-methylbenzenesulfonate (1:1)

29. 1-(4-fluorophenyl)-4-[(6br,10as)-2,3,6b,9,10,10a-hexahydro-3-methyl-1h-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7h)-yl]-1-butanone 4-methylbenzenesulfonate

30. 1-butanone, 1-(4-fluorophenyl)-4-((6br,10as)-2,3,6b,9,10,10a-hexahydro-3-methyl-1h-pyrido(3',4':4,5)pyrrolo(1,2,3-de)quinoxalin-8(7h)-yl)-, 4-methylbenzenesulfonate (1:1)

2.3.3 Other Synonyms

1. Iti-722

2. 313368-91-1

3. Lumateperone

4. 70bsq12069

2.4 Create Date
2009-11-02
3 Chemical and Physical Properties
Molecular Weight 565.7 g/mol
Molecular Formula C31H36FN3O4S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass565.24105597 g/mol
Monoisotopic Mass565.24105597 g/mol
Topological Polar Surface Area89.5 Ų
Heavy Atom Count40
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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Interquim SA

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Metrochem API Private Limited

India

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Suanfarma

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Dr. Reddy's Laboratories

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Medichem S.A

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Maithri Drugs

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Maithri Drugs

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Zydus Lifesciences

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Dasami Lab

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Sun-shine Chem

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Mankind Pharma

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Mankind Pharma

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DMF Review : Complete

Rev. Date : 2023-09-21

Pay. Date : 2023-08-17

DMF Number : 38206

Submission : 2023-03-31

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Type : II

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DMF Review : Complete

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Pay. Date : 2023-05-17

DMF Number : 38407

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Rev. Date : 2023-10-18

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DMF Number : 38778

Submission : 2023-09-21

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API Reference Price

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03-Jun-2021
24-Aug-2023
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