Ropinirole Related Compound B

CAT: 1596-AR-R01964-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R01964-01Size:10 Units

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CAS Number

221264-21-7

Synonyms

4- (2- (dipropylamino) ethyl) indoline-2,3-dione hydrochloride; 3-Oxo Ropinirole HCl

Molecular Formula

C16H22N2O2

Molecular Weight

274.37 36.46

API Name

Ropinirole

Chemical Information

SKF-96266 hydrochloride

CAS Number	221264-21-7
PubChem CID	69117902
IUPAC Name	4-[2-(dipropylamino)ethyl]-1H-indole-2,3-dione;hydrochloride
Molecular Formula	C16H23ClN2O2
Molecular Weight	310.82
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	350

SMILES

CCCN(CCC)CCC1=C2C(=CC=C1)NC(=O)C2=O.Cl

InChI

InChI=1S/C16H22N2O2.ClH/c1-3-9-18(10-4-2)11-8-12-6-5-7-13-14(12)15(19)16(20)17-13;/h5-7H,3-4,8-11H2,1-2H3,(H,17,19,20);1H

InChIKey

FAZLVYBTACOVTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 221264-21-7

CID: 69117902

Formula: C16H23ClN2O2

MW: 310.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.82
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	310.1448057
Monoisotopic Mass	310.1448057
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	350
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

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Catalog	Name
RM-R161402-01	Ropinirole EP Impurity A; Ropinirole USP Related Compound B
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IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
CS-CY-00056	Travoprost Related Compound A