Deutetrabenazine Impurity 32

CAT: 1299-RM-D193032-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D193032-01Size:10 mg

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CAS Number

1351951-84-2

Synonyms

N- (3,4-bis (methoxy-d3) phenethyl-d6) formamide

Molecular Formula

C11H9D6NO3

Molecular Weight

215.28

Target Alternative Name

Deutetrabenazine

Chemical Information

N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide

CAS Number	1351951-84-2
PubChem CID	54765059
IUPAC Name	N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
Molecular Formula	C11H15NO3
Molecular Weight	215.28
XLogP	1
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	187

SMILES

[2H]C([2H])([2H])OC1=C(C=C(C=C1)CCNC=O)OC([2H])([2H])[2H]

InChI

InChI=1S/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)/i1D3,2D3

InChIKey

WUZNVFUYFDVUIC-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 1351951-84-2

CID: 54765059

Formula: C11H15NO3

MW: 215.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.28
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	215.14285382
Monoisotopic Mass	215.14285382
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	187
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
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
CS-O-63445	Deutetrabenazine Impurity 19
CS-O-37095	Deutetrabenazine
CS-O-52442	DiDehydro Deutetrabenazine
AR-T04622-01	Deutetrabenazine Metabolite M4
CS-O-64723	Deutetrabenazine Regio isomer
CS-ED-41617	Deutetrabenazine metabolite M1
CS-O-49729	(SR) & (RS) -Deutetrabenazine-d6
AR-T04621-01	Deutetrabenazine Metabolite M1 Sodium Salt (Mixture of Diastereomers)
AR-C02408-01	Chlorguanide Impurity A (Proguanil Impurity A)
AR-N01251-01	Nelfinavir Oxazole Impurity (Impurity A)