ChemicalBook--->CAS DataBase List--->112457-95-1

112457-95-1

112457-95-1 Structure

112457-95-1 Structure
IdentificationBack Directory
[Name]

SM 3997
[CAS]

112457-95-1
[Synonyms]

SM 3997
Methanospirone
SM-3997 citrate
andospironecitrate
Tandopsirone citrate
tandospirone citrate
(3aα,4β,7β,7aα)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione·citric acid
3aalpha,4alpha,5,6,7alpha,7aalpha-Hexahydro-2-[4- [4-(2-pyriMidinyl)-1-piperazinyl]butyl]-4,7-Methano-1H-isoindole-1,3(2H)-dione dihydrogen citrate
rel-(3aR,4S,7R,7aS)-2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 2-hydroxypropane-1,2,3-tricarboxylate
(3aR,4S,7R,7aS)-rel-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aa,4b,7b,7aa)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aR,4S,7R,7aS)-rel-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI)
[Molecular Formula]

C21H29N5O2.C6H8O7
[MOL File]

112457-95-1.mol
[Molecular Weight]

575.615
Questions And AnswerBack Directory
[Physical Form]

solid
Chemical PropertiesBack Directory
[Melting point ]

169.5-170°
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

Solid
[color ]

White to off-white
[Water Solubility ]

Water: 10.4 mg/mL (18.07 mM)
[InChIKey]

DMLGUJHNIWGCKM-DPFKZJTMNA-N
[SMILES]

[C@@]12(C(=O)N(CCCCN3CCN(C4=NC=CC=N4)CC3)C(=O)[C@]1([C@@]1(CC[C@]2(C1)[H])[H])[H])[H].C(O)(C(=O)O)(CC(=O)O)CC(=O)O |&1:0,22,23,26,r|
Hazard InformationBack Directory
[Uses]

Anti-anxiety agent.
[Definition]

ChEBI: Tandospirone citrate is a citrate salt of tandospirone , comprising equimolar amounts of citric acid and tandospirone. It is an anxiolytic drug used in the treatment of anxiety disorders. It has a role as an anxiolytic drug and an antidepressant. It contains a tandospirone(1+).
[Pharmacology]

Tandospirone citrate is a partial agonist of the 5-hydroxytryptamine type 1A (5-HT1A) receptor,which selectively binds to the 5-HT1A receptor in the brain. The anti-anxiety effect is exerted by inhibiting the activities of the 5-HT1A system via selectively stimulating the 5-HT1A receptor widely distributed in these sites.
[Side effects]

The most common adverse reactions to Tandospirone citrate include drowsiness, dizziness, headache, nausea, malaise, rash, urticaria and pruritus. In addition, there are some symptoms that require special attention, such as those related to hepatic insufficiency and jaundice: general malaise, loss of appetite, yellowing of the skin and whites of the eyes. Excitement, sweating and trembling associated with serotonin syndrome. Fever, impaired consciousness, sweating associated with malignant syndrome. These symptoms are rarely considered initial symptoms of the indicated adverse reaction. However, if you experience discomfort, contact your doctor immediately.
Spectrum DetailBack Directory
[Spectrum Detail]

Tandospirone citrate(112457-95-1)1HNMR
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