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Pecazine Hydrochloride

CAT: 0572-TRC-P217890-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P217890-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
738596-90-2
Synonyms
10-[(1-Methyl-3-piperidyl)methyl]phenothiazine; III 2318; Lacumin; MPMP; Mepazin; Mepazine; Mepazine Base; Meprazine; Mesapin; Nothiazine; P 391; Pacatal; Pacatal base; Pacatol; Pakatal; Paxital; Pecatal; Pecazine
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CN1CC(CCC1)CN2C3=C(SC4=CC=CC=C42)C=CC=C3.Cl
Molecular Formula
C19H22N2S . xHCl
InChI
InChI=1S/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H
Additionnal Information
IUPAC name: 10-((1-methylpiperidin-3-yl)methyl)-10H-phenothiazine hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)-, hydrochloride (1:1)
CAS Number738596-90-2
PubChem CID102907
IUPAC Name10-[(1-methylpiperidin-3-yl)methyl]phenothiazine;hydrochloride
Molecular FormulaC19H23ClN2S
Molecular Weight346.9
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity352
SMILES
CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl
InChI
InChI=1S/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H
InChIKey
RLCFKYRNUBRPIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)-, hydrochloride (1:1)
CAS: 738596-90-2
CID: 102907
Formula: C19H23ClN2S
MW: 346.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass346.1270476
Monoisotopic Mass346.1270476
Topological Polar Surface Area31.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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