Carbamazepine Nitroso Impurity 9

CAT: 1299-RM-C122738-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C122738-01Size:10 mg

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CAS Number

7458-08-4

Synonyms

5-nitroso-10,11-dihydro-5H-dibenzo[b, f]azepine

Molecular Formula

C14H12N2O

Molecular Weight

224.26

Target Alternative Name

Carbamazepine

Product Name Synonym

5-nitroso-10,11-dihydro-5H-dibenzo[b, f]azepine

Chemical Information

10,11-Dihydro-5-nitroso-5H-dibenz(b,f)azepine

nitrosylated tricyclic compound

CAS Number	7458-08-4
PubChem CID	81960
IUPAC Name	11-nitroso-5,6-dihydrobenzo[b][1]benzazepine
Molecular Formula	C14H12N2O
Molecular Weight	224.26
XLogP	4.7
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	257

SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)N=O

InChI

InChI=1S/C14H12N2O/c17-15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2

InChIKey

AVXDYTPASFOWQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7458-08-4

CID: 81960

Formula: C14H12N2O

MW: 224.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.26
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	224.094963011
Monoisotopic Mass	224.094963011
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-C021309-01	Carbamazepine Impurity 9
RM-S192909-01	SAL0139 Nitroso Impurity 9
RM-M050909-01	Methimazole Nitroso Impurity 9
RM-O180209-01	Orbifloxacin Nitroso Impurity 9
RM-C122739-01	Clomipramine Nitroso Impurity 9
RM-C011709-01	Carprofen Nitroso Impurity 9
RM-S637009-01	Sotorasib Nitroso Impurity 9
RM-C021308-01	Carbamazepine Impurity 8
RM-C021320-01	Carbamazepine Impurity 20
RM-C021311-01	Carbamazepine Impurity 11

Catalog	Name
AR-C05602-01	N-Nitroso Carbamazepine EP Impurity E
FC139258-01	Carbamazepine impurity
AR-C06033-01	Carbamazepine Impurity 10 (2-Methyl Carbamazepine)
AR-C01344-01	Carbamazepine Impurity 3
AR-C06040-01	Carbamazepine Impurity 13
AR-C06036-01	Carbamazepine Impurity 6
AR-C06031-01	Carbamazepine Impurity 8
AR-C01346-01	Carbamazepine Impurity 4
AR-C01343-01	Carbamazepine Impurity 2
AR-C01342-01	Carbamazepine Impurity 1