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Tegaserod Maleate

CAT: 0957-S5401-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S5401-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189188-57-6
Synonyms
HTF-919
Target
5-HT Receptor
Applications
Neuronal Signaling
Smiles
CCCCCN=C (N) NN=CC1=CNC2=C1C=C (C=C2) OC.C (=CC (=O) O) C (=O) O
Molecular Formula
C16H23N5O.C4H4O4
Additionnal Information
Tegaserod Maleate (HTF-919) is a hydrogen maleate salt form of tegaserod, which is a 5-HT4 receptor partial agonist and binds with high affinity to 5-HT4 receptors. It has limited affinity for 5-HT1 receptors and no appreciable affinity for other 5-HT receptors, muscarinic, adrenergic, dopaminergic or opiate receptors.
Storage Conditions
3 years -20°C powder

Chemical Information

Tegaserod Maleate

See also: Tegaserod (has active moiety).

CAS Number189188-57-6
PubChem CID135413539
IUPAC Name(Z)-but-2-enedioic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
Molecular FormulaC20H27N5O5
Molecular Weight417.5
Topological Polar Surface Area162
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity504
SMILES
CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-
InChIKey
CPDDZSSEAVLMRY-FEQFWAPWSA-N
Chemical Structure
2D Structure
2D structure of Tegaserod Maleate
CAS: 189188-57-6
CID: 135413539
Formula: C20H27N5O5
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass417.20121898
Monoisotopic Mass417.20121898
Topological Polar Surface Area162 Ų
Heavy Atom Count30
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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