Dosulepin Hydrochloride EP Impurity B

CAT: 1299-RG-D090205-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D090205-01Size:10 mg

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CAS Number

1531-77-7

Synonyms

Dibenzo[b, e]thiepin-11 (6H) -one

Molecular Formula

C14H10OS

Molecular Weight

226.29

Target Alternative Name

Dosulepin Hydrochloride

Product Name Synonym

Dibenzo[b, e]thiepin-11 (6H) -one

Chemical Information

Dibenzo[b,e]thiepin-11(6H)-one

CAS Number	1531-77-7
PubChem CID	73741
IUPAC Name	6H-benzo[c][1]benzothiepin-11-one
Molecular Formula	C14H10OS
Molecular Weight	226.30
XLogP	3.5
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	276

SMILES

C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1

InChI

InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

InChIKey

JGJDEWXZEIHBNW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1531-77-7

CID: 73741

Formula: C14H10OS

MW: 226.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.30
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	226.04523611
Monoisotopic Mass	226.04523611
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	276
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-D152001-01	Dosulepin Hydrochloride EP Impurity A
RM-D152004-01	Dosulepin Hydrochloride EP Impurity D
RM-D152005-01	Dosulepin hydrochloride EP Impurity E
RM-D152003-01	Dosulepin Hydrochloride EP Impurity C
RM-D152000-01	Dosulepin hydrochloride
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AR-D02308-01	Dosulepin EP Impurity C
AR-D02309-01	Dosulepin EP Impurity E
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