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Thiethylperazine Dimaleate

CAT: 0024-sc-474760Size: 25 mgDry Ice: NoHazardous: No
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CAS Number
1179-69-7

Chemical Information

Thiethylperazine Maleate

Thiethylperazine Maleate is the maleate salt form of triethylperazine, a piperazine phenothiazine derivative and a dopamine antagonist used as antiemetic. Thiethylperazine blocks postsynaptic dopamine 2 (D2) receptors in the medullary chemoreceptor trigger zone (CTZ), thereby decreasing stimulation of the vomiting center in the brain. Peripherally, thiethylperazine blocks the vagus nerve in the gastrointestinal tract. In addition, this agent also shows antagonistic activities mediated through muscarinic receptors, H1-receptors, and alpha(1)-receptors.

CAS Number1179-69-7
PubChem CID5282398
IUPAC Namebis((Z)-but-2-enedioic acid);2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Molecular FormulaC30H37N3O8S2
Molecular Weight631.8
Topological Polar Surface Area210
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity574
SMILES
CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
RVBRTNPNFYFDMZ-SPIKMXEPSA-N
Chemical Structure
2D Structure
2D structure of Thiethylperazine Maleate
CAS: 1179-69-7
CID: 5282398
Formula: C30H37N3O8S2
MW: 631.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass631.20220749
Monoisotopic Mass631.20220749
Topological Polar Surface Area210 Ų
Heavy Atom Count43
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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