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Prochlorperazine D8

CAT: 1299-RM-P150306-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P150306-02Size:25 mg
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CAS Number
1215641-01-2
Synonyms
2-chloro-10- (3- (4-methylpiperazin-1-yl-2,2,3,3,5,5,6,6-d8) propyl) -10H-phenothiazine
Molecular Formula
C20H16D8ClN3S
Molecular Weight
381.99
Target Alternative Name
Prochlorperazine
Product Name Synonym
2-chloro-10- (3- (4-methylpiperazin-1-yl-2,2,3,3,5,5,6,6-d8) propyl) -10H-phenothiazine

Chemical Information

Prochlorperazine D8
CAS Number1215641-01-2
PubChem CID45280503
IUPAC Name2-chloro-10-[3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
Molecular FormulaC20H24ClN3S
Molecular Weight382.0
XLogP4.9
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity429
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/i11D2,12D2,13D2,14D2
InChIKey
WIKYUJGCLQQFNW-FUEQIQQISA-N
Chemical Structure
2D Structure
2D structure of Prochlorperazine D8
CAS: 1215641-01-2
CID: 45280503
Formula: C20H24ClN3S
MW: 382.0
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight382.0
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass381.1881606
Monoisotopic Mass381.1881606
Topological Polar Surface Area35 Ų
Heavy Atom Count25
Formal Charge0
Complexity429
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes