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Lorazepam Related Compound D

CAT: 1459-CS-T-50584Size: 1 EachDry Ice: NoHazardous: No
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Description
Lorazepam Related Compound D is listed under Impurity and is intended for research and analytical applications. It is associated with Lorazepam. 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
6-Chloro-4- (2-chlorophenyl) -2-quinazolinecarboxylic Acid is a metabolite of Lorazepam .
CAS Number
54643-79-7
Synonyms
Lorazepam Related Compound D
Molecular Formula
C 15 H 8 Cl 2 N 2 O 2
Molecular Weight
319.14
Additionnal Information
Lorazepam Related Compound D 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
6-Chloro-4- (2-chlorophenyl) -2-quinazolinecarboxylic Acid is a metabolite of Lorazepam .
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxylic acid
CAS Number54643-79-7
PubChem CID12211233
IUPAC Name6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylic acid
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.1
XLogP4.3
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity396
SMILES
C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C(=O)O)Cl
InChI
InChI=1S/C15H8Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-14(18-12)15(20)21)9-3-1-2-4-11(9)17/h1-7H,(H,20,21)
InChIKey
WPSNLOADPUPVMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxylic acid
CAS: 54643-79-7
CID: 12211233
Formula: C15H8Cl2N2O2
MW: 319.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.1
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass317.9962829
Monoisotopic Mass317.9962829
Topological Polar Surface Area63.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity396
Isotope Atom Count0
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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