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1-Hydroxymidazolam 13C6

CAT: 1459-CS-EK-02270Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-EK-02270Size:1 Each
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Description
1-Hydroxymidazolam 13C6 is listed under Stable Isotopes and is intended for research and analytical applications. It is associated with Midazolam. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1261396-36-4
Synonyms
1-Hydroxymidazolam 13C6
Molecular Formula
C 1213 C 6 H 13 ClFN 3 O
Molecular Weight
347.72 g/mol
Additionnal Information
1-Hydroxymidazolam 13C6 is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1'-Hydroxymidazolam-13C6
CAS Number1261396-36-4
PubChem CID49849389
IUPAC Name[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol
Molecular FormulaC18H13ClFN3O
Molecular Weight347.72
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
C1C2=CN=C(N2[13C]3=[13C]([13CH]=[13C]([13CH]=[13CH]3)Cl)C(=N1)C4=CC=CC=C4F)CO
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/i5+1,6+1,7+1,11+1,14+1,16+1
InChIKey
QHSMEGADRFZVNE-GLCRKPPFSA-N
Chemical Structure
2D Structure
2D structure of 1'-Hydroxymidazolam-13C6
CAS: 1261396-36-4
CID: 49849389
Formula: C18H13ClFN3O
MW: 347.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.72
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass347.0932469
Monoisotopic Mass347.0932469
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity491
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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