Duloxetine EP Impurity B

CAT: 1299-RM-D122402-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D122402-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

116539-55-0

Synonyms

(S) -3- (methylamino) -1- (thiophen-2-yl) propan-1-ol

Molecular Formula

C8H13NOS

Molecular Weight

171.26

Target Alternative Name

Duloxetine

Product Name Synonym

(S) -3- (methylamino) -1- (thiophen-2-yl) propan-1-ol

Chemical Information

3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)-

CAS Number	116539-55-0
PubChem CID	10095047
IUPAC Name	(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
Molecular Formula	C8H13NOS
Molecular Weight	171.26
XLogP	0.7
Topological Polar Surface Area	60.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	110

SMILES

CNCC[C@@H](C1=CC=CS1)O

InChI

InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1

InChIKey

YEJVVFOJMOHFRL-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 116539-55-0

CID: 10095047

Formula: C8H13NOS

MW: 171.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.26
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	171.07178521
Monoisotopic Mass	171.07178521
Topological Polar Surface Area	60.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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-D122401-01	Duloxetine EP Impurity A
RM-D122404-01	Duloxetine EP Impurity D
RM-D122407-01	Duloxetine EP Impurity G
RM-D122403-01	Duloxetine EP Impurity C
RM-D122405-01	Duloxetine EP Impurity E
RM-D122412-01	USP Duloxetine Related Compound F; Duloxetine EP Impurity F
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B
RM-C061202-01	Cefalexin EP Impurity B; Cefadroxil EP Impurity B; Cefradine EP Impurity A
RM-O132302-01	Omeprazole EP Impurity B; Esomeprazole EP Impurity B
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B

Catalog	Name
AR-D02520-01	Duloxetine Impurity A
AR-D02543-01	Duloxetine Impurity 6
AR-D07840-01	Duloxetine Impurity 19
AR-D06133-01	Duloxetine impurity 10
AR-D02541-01	Duloxetine Impurity 4
AR-D02537-01	Duloxetine Impurity 1
AR-D07836-01	Duloxetine Impurity 7
AR-D07849-01	Duloxetine Impurity 23
AR-D06014-01	Duloxetine Methylaminopropanol Impurity
AR-D07865-01	Duloxetine Impurity 26