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4-Hydroxy midazolam methanoate-d5

CAT: 0804-HY-W740139-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-W740139-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Hydroxy midazolam methanoate-d5 is the deuterium labeled 4-Hydroxymidazolam. 4-Hydroxymidazolam is a major metabolite of Midazolam. Midazolam is a potent benzodiazepine with anxiolytic properties.
CAS Number
1276584-44-1
UNSPSC
12352005
Target
Drug Metabolite; GABA Receptor; Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
ClC1=CC=C(N2C(C([2H])(N=C3C4=C(C=CC=C4)F)O)=C(N=C2C([2H])([2H])[2H])[2H])C3=C1.CO
Molecular Formula
C19H12D5ClFN3O2
Molecular Weight
378.84
References & Citations
[1]Seo KA, et al. Metabolism of 1'- and 4-hydroxymidazolam by glucuronide conjugation is largely mediated by UDP-glucuronosyltransferases 1A4, 2B4, and 2B7. Drug Metab Dispos. 2010 Nov;38 (11) :2007-13.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Hydroxy Midazolam-d5 Methanoate
CAS Number1276584-44-1
PubChem CID71749189
IUPAC Name8-chloro-3,4-dideuterio-6-(2-fluorophenyl)-1-(trideuteriomethyl)imidazo[1,5-a][1,4]benzodiazepin-4-ol;methanol
Molecular FormulaC19H17ClFN3O2
Molecular Weight378.8
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity507
SMILES
[2H]C1=C2C(N=C(C3=C(N2C(=N1)C([2H])([2H])[2H])C=CC(=C3)Cl)C4=CC=CC=C4F)([2H])O.CO
InChI
InChI=1S/C18H13ClFN3O.CH4O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16;1-2/h2-9,18,24H,1H3;2H,1H3/i1D3,9D,18D;
InChIKey
KLHSWXKIEJJJAJ-UBXIXORVSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Midazolam-d5 Methanoate
CAS: 1276584-44-1
CID: 71749189
Formula: C19H17ClFN3O2
MW: 378.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass378.1307164
Monoisotopic Mass378.1307164
Topological Polar Surface Area70.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity507
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-1023584-Hydroxy Midazolam-d5 Methanoate
432574-014-Hydroxy Midazolam-d5 Methanoate discontinued
TRC-KIT5090-1X1ML4-Hydroxy Midazolam-d5 Methanoate (1.0mg/ml in Acetonitrile)
TRC-H948423-10MG1’-Hydroxy Midazolam-d5
CS-TB-683391’-Hydroxy Midazolam-d5
411552-011’-Hydroxy Midazolam-d5 discontinued
432573-014-Hydroxy Midazolam β-D-Glucuronide-d5 (Mixture of Diastereomers) discontinued
TRC-H948437-2.5MG4-Hydroxy Midazolam beta-D-Glucuronide-d5(Mixture of Diastereomers)
TRC-H948432-0.25MG1'-Hydroxy Midazolam-Beta-D-glucuronide-d5
411557-011’-Hydroxy Midazolam-β-D-glucuronide-d5 discontinued

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