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(±) -3-Methyl nitrazepam

CAT: 0804-HY-150349-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-150349-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) -3-Methyl nitrazepam is a benzodiazepine.
CAS Number
4928-07-8
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
O=C1NC2=CC=C([N+]([O-])=O)C=C2C(C3=CC=CC=C3)=NC1C
Molecular Formula
C16H13N3O3
Molecular Weight
295.29
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-
CAS Number4928-07-8
PubChem CID626346
IUPAC Name3-methyl-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular FormulaC16H13N3O3
Molecular Weight295.29
XLogP2.5
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity480
SMILES
CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O3/c1-10-16(20)18-14-8-7-12(19(21)22)9-13(14)15(17-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,20)
InChIKey
PRMIWZTXQDCXCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-
CAS: 4928-07-8
CID: 626346
Formula: C16H13N3O3
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass295.09569129
Monoisotopic Mass295.09569129
Topological Polar Surface Area87.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity480
Isotope Atom Count0
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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