Ciprofibrate-D6

CAT: 1299-RM-C091627-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C091627-02Size:25 mg

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CAS Number

2070015-05-1

Synonyms

Ciprofibrate-D6;2- (4- (2,2-dichlorocyclopropyl) phenoxy) -2- (methyl-d3) propanoic-3,3,3-d3 acid

Molecular Formula

C13H8Cl2O3D6

Molecular Weight

295.2

Target Alternative Name

Ciprofibrate

Product Name Synonym

Ciprofibrate-D6

Chemical Information

Ciprofibrate-d6

CAS Number	2070015-05-1
PubChem CID	92044432
IUPAC Name	3,3,3-trideuterio-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-(trideuteriomethyl)propanoic acid
Molecular Formula	C13H14Cl2O3
Molecular Weight	295.19
XLogP	3.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	333

SMILES

[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])OC1=CC=C(C=C1)C2CC2(Cl)Cl

InChI

InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/i1D3,2D3

InChIKey

KPSRODZRAIWAKH-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 2070015-05-1

CID: 92044432

Formula: C13H14Cl2O3

MW: 295.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.19
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	294.0696602
Monoisotopic Mass	294.0696602
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	333
Isotope Atom Count	6
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-C091600-01	Ciprofibrate
RM-C091601-01	Ciprofibrate EP Impurity A
RM-C091606-01	Ciprofibrate Impurity 6
RM-C091604-01	Ciprofibrate EP Impurity D
RM-C091602-01	Ciprofibrate EP Impurity B
RM-C091605-01	Ciprofibrate EP Impurity E
RM-C091603-01	Ciprofibrate EP Impurity C
RM-P052032-01	Pentoxifylline-D6 (Dimethyl-D6)
RM-P050213-01	3,3′-Dichlorobenzidine D6 (Ring D6)
RM-P052033-01	Hydroxy Pentoxifylline-D6 (Rac-Lisofylline-D6)