Sulindac EP Impurity C-d3

CAT: 1596-AR-S02081-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S02081-01Size:10 Units

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CAS Number

250608-66-3

Synonyms

(Z) -2- (5-fluoro-2-methyl-1- (4- (methylthio) benzylidene) -1H-inden-3-yl) acetic acid-D3; (Sulindac Sulfide-d3)

Molecular Formula

C20H14D3FO2S

Molecular Weight

343.43

API Name

Sulindac

Chemical Information

Sulindac sulfide-d3

CAS Number	250608-66-3
PubChem CID	10569396
IUPAC Name	2-[(3Z)-6-fluoro-2-methyl-3-[[4-(trideuteriomethylsulfanyl)phenyl]methylidene]inden-1-yl]acetic acid
Molecular Formula	C20H17FO2S
Molecular Weight	343.4
XLogP	4.8
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	546

SMILES

[2H]C([2H])([2H])SC1=CC=C(C=C1)/C=C\2/C(=C(C3=C2C=CC(=C3)F)CC(=O)O)C

InChI

InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/i2D3

InChIKey

LFWHFZJPXXOYNR-FHFLIJIYSA-N

Chemical Structure

2D Structure

CAS: 250608-66-3

CID: 10569396

Formula: C20H17FO2S

MW: 343.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.4
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	343.11215935
Monoisotopic Mass	343.11215935
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	546
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-S02082-01	Sulindac EP Impurity B-d3
AR-S02076-01	Sulindac EP Impurity C
AR-S02077-01	Sulindac EP Impurity B
AR-S02080-01	Sulindac-d3
AR-T06087-01	Tropisetron EP Impurity A-d3 (Deptropine EP Impurity A-d3, Tropine-d3)
AR-A02227-01	Metamizole EP Impurity C-d3 HCl
AR-I03505-01	Indapamide EP Impurity A-d3
AR-N08501-01	Nicergoline EP Impurity C-N1-13C-d3
AR-S11023-01	Sulindac Impurity 1
AR-V06513-01	Verapamil EP Impurity G-d3