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Spiclomazine

CAT: 0024-sc-474403ASize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-474403ASize:2.5 g
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CAS Number
24527-27-3

Chemical Information

Spiclomazine

Spiclomazine is a member of phenothiazines.

CAS Number24527-27-3
PubChem CID65714
IUPAC Name8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Molecular FormulaC22H24ClN3OS2
Molecular Weight446.0
XLogP5.3
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity601
SMILES
C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKey
CFOYBMUYCBSDAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiclomazine
CAS: 24527-27-3
CID: 65714
Formula: C22H24ClN3OS2
MW: 446.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.0
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass445.1049324
Monoisotopic Mass445.1049324
Topological Polar Surface Area86.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity601
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
BA5801-10Spiclomazine
GTR19192589-01Spiclomazine HCl
HY-122152Spiclomazine (hydrochloride)
466433Spiclomazine-d6
T202567-01Spiclomazine free base

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