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1’-Hydroxy Midazolam-d5

CAT: 0572-TRC-H948423-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948423-1MGSize:1 mg
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CAS Number
1276651-09-2
Synonyms
[8-Chloro-3,4,4-trideuterio-6-(2-fluorophenyl)imidazo[1,5-a][1,4]benzodiazepin-1-yl]-dideuteriomethanol; 8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-(methanol-1,1-d2)-3,4,4-d3; 1-Hydroxymidazolam-d5; 1'-Hydroxymidazolam-1',1',3,4,4-d5; α-Hydroxymidazolam-d5; alpha-Hydroxymidazolam-d5; α-Hydroxymidazolam-α,α,3,4,4-D5
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1nc(n2c3ccc(Cl)cc3C(=NC([2H])([2H])c12)c4ccccc4F)C([2H])([2H])O
Molecular Formula
C18 2H5 H8 Cl F N3 O
Molecular Weight
346.8
InChI
InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2/i8D,9D2,10D2
Additionnal Information
IUPAC name: [8-chloro-3,4,4-trideuterio-6-(2-fluorophenyl)imidazo[1,5-a][1,4]benzodiazepin-1-yl]-dideuteriomethanol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1'-Hydroxy Midazolam-d5
CAS Number1276651-09-2
PubChem CID71749188
IUPAC Name[8-chloro-3,4,4-trideuterio-6-(2-fluorophenyl)imidazo[1,5-a][1,4]benzodiazepin-1-yl]-dideuteriomethanol
Molecular FormulaC18H13ClFN3O
Molecular Weight346.8
XLogP2.7
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity491
SMILES
[2H]C1=C2C(N=C(C3=C(N2C(=N1)C([2H])([2H])O)C=CC(=C3)Cl)C4=CC=CC=C4F)([2H])[2H]
InChI
InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2/i8D,9D2,10D2
InChIKey
QHSMEGADRFZVNE-UQJCUSATSA-N
Chemical Structure
2D Structure
2D structure of 1'-Hydroxy Midazolam-d5
CAS: 1276651-09-2
CID: 71749188
Formula: C18H13ClFN3O
MW: 346.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.8
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass346.1045016
Monoisotopic Mass346.1045016
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity491
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes