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Midazolam 2,5-Dioxide-d6

CAT: 0804-HY-W740707-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W740707-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Midazolam 2,5-Dioxide-d6 is the deuterium labeled 8-Chloro-6- (2-fluorophenyl) -1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine 2,5-DioxideMidazolam 2,5-Dioxide.
CAS Number
1215321-98-4
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C1=C2C([2H])([2H])[N+]([O-])=C(C3=CC=CC=C3F)C4=C(C=CC(Cl)=C4)N2C(C([2H])([2H])[2H])=[N+]1[O-]
Molecular Formula
C18H7D6ClFN3O2
Molecular Weight
363.80
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Midazolam 2,5-Dioxide-d6
CAS Number1215321-98-4
PubChem CID71750736
IUPAC Name8-chloro-3,4,4-trideuterio-6-(2-fluorophenyl)-2,5-dioxido-1-(trideuteriomethyl)imidazo[1,5-a][1,4]benzodiazepine-2,5-diium
Molecular FormulaC18H13ClFN3O2
Molecular Weight363.8
XLogP3
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity548
SMILES
[2H]C1=C2C([N+](=C(C3=C(N2C(=[N+]1[O-])C([2H])([2H])[2H])C=CC(=C3)Cl)C4=CC=CC=C4F)[O-])([2H])[2H]
InChI
InChI=1S/C18H13ClFN3O2/c1-11-21(24)9-13-10-22(25)18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3/i1D3,9D,10D2
InChIKey
WBIWFQPWSUQUEA-PKRPFQJCSA-N
Chemical Structure
2D Structure
2D structure of Midazolam 2,5-Dioxide-d6
CAS: 1215321-98-4
CID: 71750736
Formula: C18H13ClFN3O2
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass363.1056930
Monoisotopic Mass363.1056930
Topological Polar Surface Area59.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity548
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M343032-10MGMidazolam 2,5-Dioxide-d6
456215-01Midazolam 2,5-Dioxide-d6 discontinued
TRC-M343037-25MGMidazolam Acetoxymethyl 2,5-Dioxide-d5
TRC-M343003-1MGMidazolam-d6
CS-T-57050Midazolam D6
456216-01Midazolam Acetoxymethyl 2,5-Dioxide-d5 discontinued
456222-01Midazolam-d6 discontinued
437169-015,6-Dihydro Midazolam-d6 discontinued
TRC-KIT0042-1X1MLMidazolam-d6 (1mg/ml in Acetonitrile)
TRC-C366415-10MG8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine 2,5-Dioxide Midazolam 2,5-Dioxide

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