Products for Research Use Only
RegisterLogin

Timiperone-d4 (Major)(Contain d0)

CAT: 0572-TRC-T443112-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-T443112-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1185042-00-5
Synonyms
4-[4-(2,3-Dihydro-2-thioxo-1H-(benzimidazol-d4)-1-yl)-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone; 1-[1-[3-(4-Fluorobenzoyl)propyl]-4-piperidyl]-2-mercaptobenzimidazole-d4; 4-Fluoro-4-[4-(2-thioxo-1-benzimidazolinyl-d4)piperidino]butyrophenone; 1-[1-[3-(4-Fluorobenzoyl)propyl]-4-piperidyl]-2,3-(dihydrobenzimidazole-d4)-2-thione; Tolopelon
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
[2H]c1c([2H])c([2H])c2N(C3CCN(CCCC(=O)c4ccc(F)cc4)CC3)C(=S)Nc2c1[2H]
Molecular Formula
C22H20D4FN3OS
Molecular Weight
401.53
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Timiperone-d4 (Major)(Contain d0)
CAS Number1185042-00-5
PubChem CID53315045
IUPAC Name1-(4-fluorophenyl)-4-[4-(4,5,6,7-tetradeuterio-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
Molecular FormulaC22H24FN3OS
Molecular Weight401.5
XLogP4.3
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity558
SMILES
[2H]C1=C(C(=C2C(=C1[2H])NC(=S)N2C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)[2H])[2H]
InChI
InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)/i1D,2D,4D,5D
InChIKey
YDLQKLWVKKFPII-GYABSUSNSA-N
Chemical Structure
2D Structure
2D structure of Timiperone-d4 (Major)(Contain d0)
CAS: 1185042-00-5
CID: 53315045
Formula: C22H24FN3OS
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass401.18751872
Monoisotopic Mass401.18751872
Topological Polar Surface Area67.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity558
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-T443110-5MGTimiperone
TRC-T443110-25MGTimiperone
TRC-M294397-2.5MG3-Methyl-2-buten-1-ol-d6 (d5 Major) (Contain ~3% d0)
TRC-M294397-25MG3-Methyl-2-buten-1-ol-d6 (d5 Major)(Contain ~3% d0)
TRC-M225752-50MGMesna-d4 (contain disulfide)
TRC-M225752-5MGMesna-d4 (contain disulfide)
TRC-T443110-2.5MGTimiperone
TRC-A161222-25MGAcetaminophen-d4 (major)
TRC-D416892-50MGDibenzazepinone-d4 (Major)
TRC-O869252-25MGOxcarbazepine-D4 (Major)

Alternative Products

CatalogName
sc-220255Timiperone-d4 (Major)
CS-O-10380Betamethasone-d4, d5 (d4 major)
469744-01β-Nicotinamide-d4 Mononucleotide (d4-major)
CS-F-00244Upadacitinib-d4 (major)
018096Nicotinamide-d4 (Major)
007412Cyclosporin A-d4 (Major)
467615-01Tianeptine-d4 (Major)
442082Baclofen-d4 (Major)
164259Gamithromycin-d4 (Major)
sc-213225γ-Tocopherol-d4 (major)

Popular Products