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Thiethylperazine dimalate

CAT: 0024-sc-472953BSize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-472953BSize:1 g
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CAS Number
52239-63-1

Chemical Information

Thiethylperazine Malate

See also: Thiethylperazine (has active moiety).

CAS Number52239-63-1
PubChem CID11954258
IUPAC Name2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;bis(2-hydroxybutanedioic acid)
Molecular FormulaC30H41N3O10S2
Molecular Weight667.8
Topological Polar Surface Area250
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity584
SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(C(C(=O)O)O)C(=O)O.C(C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C22H29N3S2.2C4H6O5/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*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)
InChIKey
GTHHLZDYRHLACN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiethylperazine Malate
CAS: 52239-63-1
CID: 11954258
Formula: C30H41N3O10S2
MW: 667.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight667.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass667.22333686
Monoisotopic Mass667.22333686
Topological Polar Surface Area250 Ų
Heavy Atom Count45
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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CatalogName
467504-01Thiethylperazine Dimalate
TRC-T344497-25MGThiethylperazine-d8 Dimalate
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GTR19273827-01Norzine dimalate
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HY-B1794SThiethylperazine-d3

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