Dibenzepine HCl

CAT: 0024-sc-201115ASize: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-201115ASize:500 mg

Selected

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

Quick Request Actions

CAS Number

315-80-0

Chemical Information

Dibenzepin Hydrochloride

Dibenzepin hydrochloride is a dibenzodiazepine.

CAS Number	315-80-0
PubChem CID	443945
IUPAC Name	5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride
Molecular Formula	C18H22ClN3O
Molecular Weight	331.8
Topological Polar Surface Area	26.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	398

SMILES

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl

InChI

InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H

InChIKey

RJPZIQRLRMWPRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 315-80-0

CID: 443945

Formula: C18H22ClN3O

MW: 331.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	331.1451400
Monoisotopic Mass	331.1451400
Topological Polar Surface Area	26.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	398
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	2
Compound Is Canonicalized	Yes

Catalog	Name
446573	Dibenzepine HCl
HY-12391A	Dibenzepine (hydrochloride)
TRC-D416923-250MG	Dibenzepine Hydrochloric Acid Salt