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Lormetazepam-13C,d3

CAT: 0572-TRC-L469932-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L469932-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1285932-00-4
Hazard Statement
Harmful if swallowed.
Smiles
[2H][13C]([2H])([2H])N1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13
Molecular Formula
13C C15 D3 H9 Cl2 N2 O2
Molecular Weight
339.2
Additionnal Information
IUPAC name: 7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-(trideuterio(1^{13}C)methyl)-3H-1,4-benzodiazepin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lormetazepam-13C,d3
CAS Number1285932-00-4
PubChem CID71749840
IUPAC Name7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-(trideuterio(113C)methyl)-3H-1,4-benzodiazepin-2-one
Molecular FormulaC16H12Cl2N2O2
Molecular Weight339.2
XLogP2.4
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity471
SMILES
[2H][13C]([2H])([2H])N1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3/i1+1D3
InChIKey
FJIKWRGCXUCUIG-KQORAOOSSA-N
Chemical Structure
2D Structure
2D structure of Lormetazepam-13C,d3
CAS: 1285932-00-4
CID: 71749840
Formula: C16H12Cl2N2O2
MW: 339.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight339.2
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass338.0497681
Monoisotopic Mass338.0497681
Topological Polar Surface Area52.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity471
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