Desmethylloxapine

CAT: 1596-AR-A02069-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A02069-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

21636-40-8

Synonyms

11- (piperazin-1-yl) dibenzo[b, f][1,4]oxazepine

Molecular Formula

C17H17N3O

Molecular Weight

279.34

API Name

Amoxapine

Chemical Information

11-(Piperazin-1-yl)dibenzo(b,f)(1,4)oxazepine

CAS Number	21636-40-8
PubChem CID	7061874
IUPAC Name	6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Molecular Formula	C17H17N3O
Molecular Weight	279.34
XLogP	2
Topological Polar Surface Area	36.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	391

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C17H17N3O/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2

InChIKey

KVGUXITYUGRGRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21636-40-8

CID: 7061874

Formula: C17H17N3O

MW: 279.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.34
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	279.137162174
Monoisotopic Mass	279.137162174
Topological Polar Surface Area	36.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	391
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