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Pipotiazine

CAT: 0572-TRC-P398605-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P398605-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37517-26-3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)N(C)C)CC1
Molecular Formula
C40 H63 N3 O4 S2
Molecular Weight
714.08
InChI
InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3
Additionnal Information
IUPAC name: 2-[1-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl hexadecanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pipotiazine Palmitate

Pipotiazine palmitate is a member of phenothiazines.

CAS Number37517-26-3
PubChem CID37767
IUPAC Name2-[1-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl hexadecanoate
Molecular FormulaC40H63N3O4S2
Molecular Weight714.1
XLogP11.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Heavy Atom Count49
Formal Charge0
Complexity1010
SMILES
CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3
InChIKey
KTOYYUONFQWSMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pipotiazine Palmitate
CAS: 37517-26-3
CID: 37767
Formula: C40H63N3O4S2
MW: 714.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight714.1
XLogP311.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Exact Mass713.42599985
Monoisotopic Mass713.42599985
Topological Polar Surface Area104 Ų
Heavy Atom Count49
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T34072-01Pipotiazine
MBS6024889-01Pipotiazine Palmitate
AR-P02102-01Pipotiazine Palmitate S-Oxide
AR-P02103-01Pipotiazine Palmitate N-Oxide

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