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Sintamil

CAT: 0013-GTR19208527-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208527-02Size:50 mg
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Description
Sintamil
CAS Number
16398-39-3
Field of Research
Neuroscience
Smiles
CN (C) CCCN1C2=CC=CC=C2OC3=CC=C ([N+] ([O-]) =O) C=C3C1=O.Cl
Molecular Formula
C18H20ClN3O4
Molecular Weight
377.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nitroxazepine hydrochloride

has pronounced sedative properties, but otherwise resembles imipramine; minor descriptor (77-84); on-line & Index Medicus search DIBENZOXAZEPINES (77-84); RN given refers to mono-HCl

CAS Number16398-39-3
PubChem CID12195997
IUPAC Name5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one;hydrochloride
Molecular FormulaC18H20ClN3O4
Molecular Weight377.8
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
CN(C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-].Cl
InChI
InChI=1S/C18H19N3O4.ClH/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChIKey
QQYWZPWIDBROOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitroxazepine hydrochloride
CAS: 16398-39-3
CID: 12195997
Formula: C18H20ClN3O4
MW: 377.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass377.1142338
Monoisotopic Mass377.1142338
Topological Polar Surface Area78.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
MBS5814209Sintamil

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