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3-Hydroxy Bromazepam-d4

CAT: 0804-HY-W740851Size: 1 EachDry Ice: NoHazardous: No
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Description
3-Hydroxy Bromazepam-d4 is the deuterium labeled 3-Hydroxy Bromazepam.
CAS Number
1246819-39-5
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C1NC(C=CC(Br)=C2)=C2C(C3=C(C([2H])=C(C([2H])=N3)[2H])[2H])=NC1O
Molecular Formula
C14H6D4BrN3O2
Molecular Weight
336.18
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-Hydroxy Bromazepam-d4
CAS Number1246819-39-5
PubChem CID71748907
IUPAC Name7-bromo-3-hydroxy-5-(3,4,5,6-tetradeuterio-2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular FormulaC14H10BrN3O2
Molecular Weight336.18
XLogP1.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity415
SMILES
[2H]C1=C(C(=NC(=C1[2H])C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O)[2H])[2H]
InChI
InChI=1S/C14H10BrN3O2/c15-8-4-5-10-9(7-8)12(11-3-1-2-6-16-11)18-14(20)13(19)17-10/h1-7,14,20H,(H,17,19)/i1D,2D,3D,6D
InChIKey
URRUSNGCYBXNLO-VTBMLFEUSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Bromazepam-d4
CAS: 1246819-39-5
CID: 71748907
Formula: C14H10BrN3O2
MW: 336.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.18
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass335.02075
Monoisotopic Mass335.02075
Topological Polar Surface Area74.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity415
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H830032-1MG3-Hydroxy Bromazepam-d4
TRC-KIT0947-1X1ML3-Hydroxy Bromazepam-d4 (1mg/ml in Methanol)
TRC-H830030-2.5MG3-Hydroxy Bromazepam
425895-013-Hydroxy Bromazepam discontinued
TRC-A164400-2MG3-Acetoxy Bromazepam
AR-B07797-01Bromazepam Impurity 3
TRC-KIT0945-1X1ML3-Hydroxy Bromazepam 1.0 mg/mL in Methanol
425904-013-Hydroxy Fenretinide-d4
TRC-H936752-5MG3-Hydroxy Desloratadine-d4
TRC-H943222-100MGImidacloprid-3-hydroxy-D4

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