Dosulepin Hydrochloride EP Impurity C

CAT: 1299-RM-D152003-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D152003-01Size:10 mg

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CAS Number

1531-85-7

Synonyms

11- (3- (dimethylamino) propyl) -6,11-dihydrodibenzo[b, e]thiepin-11-ol

Molecular Formula

C19H23NOS

Molecular Weight

313.46

Target Alternative Name

Dosulepin Hydrochloride

Product Name Synonym

11- (3- (dimethylamino) propyl) -6,11-dihydrodibenzo[b, e]thiepin-11-ol

Chemical Information

11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-ol

CAS Number	1531-85-7
PubChem CID	12917866
IUPAC Name	11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzothiepin-11-ol
Molecular Formula	C19H23NOS
Molecular Weight	313.5
XLogP	3.4
Topological Polar Surface Area	48.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	361

SMILES

CN(C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)O

InChI

InChI=1S/C19H23NOS/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3

InChIKey

GIGQDDWBWCUOFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1531-85-7

CID: 12917866

Formula: C19H23NOS

MW: 313.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.5
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	313.15003553
Monoisotopic Mass	313.15003553
Topological Polar Surface Area	48.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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
RG-D090205-01	Dosulepin Hydrochloride EP Impurity B
RM-D152000-01	Dosulepin hydrochloride
RM-E191103-01	Esketamine Hydrochloride EP Impurity C; Ketamine Hydrochloride EP Impurity C
RM-P182424-01	Paroxetine Hydrochloride EP Impurity C; Paroxetine Hydrochloride Anhydrous EP Impurity C
RM-L052703-01	Levomethadone Hydrochloride EP Impurity C; Methadone EP Impurity C
RM-E191101-01	Esketamine Hydrochloride EP Impurity A; Ketamine Hydrochloride EP Impurity A
RM-O242703-01	Oxybuprocaine Hydrochloride EP Impurity C

Catalog	Name
AR-D02310-01	Dosulepin EP Impurity A
AR-D02308-01	Dosulepin EP Impurity C
AR-D02309-01	Dosulepin EP Impurity E
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