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N-Methyl Prochlorperazine Iodide

CAT: 0572-TRC-M320835-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M320835-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35742-45-1
Hazard Statement
No Data Available
Smiles
[I-].C[N+]1(C)CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
Molecular Formula
C21 H27 Cl N3 S . I
Molecular Weight
515.882
InChI
InChI=1S/C21H27ClN3S.HI/c1-25(2)14-12-23(13-15-25)10-5-11-24-18-6-3-4-7-20(18)26-21-9-8-17(22)16-19(21)24;/h3-4,6-9,16H,5,10-15H2,1-2H3;1H/q+1;/p-1
Additionnal Information
IUPAC name: 2-chloro-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine;iodide
Shipping Conditions
Room Temperature

Chemical Information

N-Methyl Prochlorperazine Iodide
CAS Number35742-45-1
PubChem CID169443722
IUPAC Name2-chloro-10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]phenothiazine iodide
Molecular FormulaC21H27ClIN3S
Molecular Weight515.9
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity464
SMILES
C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C.[I-]
InChI
InChI=1S/C21H27ClN3S.HI/c1-25(2)14-12-23(13-15-25)10-5-11-24-18-6-3-4-7-20(18)26-21-9-8-17(22)16-19(21)24;/h3-4,6-9,16H,5,10-15H2,1-2H3;1H/q+1;/p-1
InChIKey
BIMUGSVDXHTKJF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of N-Methyl Prochlorperazine Iodide
CAS: 35742-45-1
CID: 169443722
Formula: C21H27ClIN3S
MW: 515.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass515.06589
Monoisotopic Mass515.06589
Topological Polar Surface Area31.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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