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Altanserin tartrate

CAT: 0013-GTR19195687-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195687-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Altanserin tartrate, when radiolabeled with fluorine-18 ([18F]altanserin), serves as a PET radioligand for imaging the 5-HT2A serotonin receptor in the brain. It is applied in neuropsychiatric research for in vivo quantification of receptor distribution and occupancy in both preclinical and clinical studies.
CAS Number
79449-96-0
Smiles
[C@@H] ([C@H] (C (O) =O) O) (C (O) =O) O.O=C1C=2C (NC (=S) N1CCN3CCC (C (=O) C4=CC=C (F) C=C4) CC3) =CC=CC2
Molecular Formula
C26H28FN3O8S
Molecular Weight
561.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Altanserin Tartrate

See also: Altanserin (has active moiety).

CAS Number79449-96-0
PubChem CID3033676
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Molecular FormulaC26H28FN3O8S
Molecular Weight561.6
Topological Polar Surface Area200
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity763
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C22H22FN3O2S.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
VZGOQPXIRAHJLV-LREBCSMRSA-N
Chemical Structure
2D Structure
2D structure of Altanserin Tartrate
CAS: 79449-96-0
CID: 3033676
Formula: C26H28FN3O8S
MW: 561.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass561.15811420
Monoisotopic Mass561.15811420
Topological Polar Surface Area200 Ų
Heavy Atom Count39
Formal Charge0
Complexity763
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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