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Lumateperone Tosylate

CAT: 0957-E4874-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E4874-5mgSize:5 mg
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CAS Number
1187020-80-9
Synonyms
ITI-007
Target
5-HT Receptor
Applications
Neuronal Signaling
Molecular Formula
C24H28FN3O.C7H8O3S
Additionnal Information
Lumateperone tosylate (ITI-007) is an antagonist of 5-HT2A receptor. It also acts as a partial agonist of presynaptic D2 receptors, as an antagonist of postsynaptic D2 receptors, and as a modulator of dopamine D1 receptor. Lumateperone tosylate demonstrates anticancer activity.

Chemical Information

Lumateperone Tosylate

See also: Lumateperone (has active moiety).

CAS Number1187020-80-9
PubChem CID44241743
IUPAC Name1-(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
Molecular FormulaC31H36FN3O4S
Molecular Weight565.7
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity799
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
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
InChIKey
LHAPOGAFBLSJJQ-GUTACTQSSA-N
Chemical Structure
2D Structure
2D structure of Lumateperone Tosylate
CAS: 1187020-80-9
CID: 44241743
Formula: C31H36FN3O4S
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass565.24105597
Monoisotopic Mass565.24105597
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
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A4655-25Lumateperone tosylate
HY-19733-01Lumateperone (tosylate)
A12279-50Lumateperone Tosylate 50mg
A12279-5Lumateperone Tosylate 5mg
A12279-100Lumateperone Tosylate 100mg
A12279-25Lumateperone Tosylate 25mg
A12279-10Lumateperone Tosylate 10mg
HY-19733SLumateperone-13C, d3 (tosylate)
AR-L07936-01Lumateperone Impurity 34 Tosylate
AR-L06228-01Lumateperone Enantiomer Tosylate Salt

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