rac-Rotigotine-D3 Methyl Ether

CAT: 0572-TRC-R700717-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-R700717-25MGSize:25 mg

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CAS Number

1246820-80-3

Synonyms

N-Propyl-N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)-2-thiopheneethanamine-D3; 2-(N-Propyl-N-2-thienylethylamino)-5-methoxytetralin-D3; N 0724-D3; 5-Methoxy-N-(propyl-3,3,3-D3)-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

Hazard Statement

No Data Available

Smiles

[2H]C([2H])([2H])CCN(CCc1cccs1)C2CCc3c(C2)cccc3OC

Molecular Formula

C20H24D3NOS

Molecular Weight

332.52

Shipping Conditions

Room Temperature

Chemical Information

rac-Rotigotine-d3 Methyl Ether

CAS Number	1246820-80-3
PubChem CID	71752120
IUPAC Name	5-methoxy-N-(2-thiophen-2-ylethyl)-N-(3,3,3-trideuteriopropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Molecular Formula	C20H27NOS
Molecular Weight	332.5
XLogP	5.2
Topological Polar Surface Area	40.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	351

SMILES

[2H]C([2H])([2H])CCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3OC

InChI

InChI=1S/C20H27NOS/c1-3-12-21(13-11-18-7-5-14-23-18)17-9-10-19-16(15-17)6-4-8-20(19)22-2/h4-8,14,17H,3,9-13,15H2,1-2H3/i1D3

InChIKey

AXOQYAWBBDSEMG-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1246820-80-3

CID: 71752120

Formula: C20H27NOS

MW: 332.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	332.5
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	332.20016590
Monoisotopic Mass	332.20016590
Topological Polar Surface Area	40.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	351
Isotope Atom Count	3
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

Related Products

Catalog	Name
TRC-R700702-10MG	rac Rotigotine-d3 Hydrochloride Salt
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TRC-T774280-50MG	Triclosan Methyl-d3 Ether
TRC-E668662-100MG	Estriol Methyl Ether-D3
TRC-G189015-100MG	rac Galaxolidone Lactol Methyl Ether
TRC-R700703-1MG	rac Rotigotine-d7 Hydrochloride
TRC-R700703-10MG	rac Rotigotine-d7 Hydrochloride
TRC-N502247-50MG	p-Nitrophenethyl Methyl Ether-d3
TRC-M226402-50MG	p-Methoxyphenethyl Methyl Ether-d3

Alternative Products

Catalog	Name
020752	Rac-Rotigotine-d3 Methyl Ether
MBS6049268-01	rac-Rotigotine-d3 Methyl Ether Amide
GTR19268052-01	Rotigotine methyl ether hydrochloride
VQB72000-01	Triclosan methyl-d3 ether
MBS6077751-01	rac Desisopropyl Tolterodine Methyl Ether
464198-01	Rac Galaxolidone Lactol Methyl Ether
FDA31458-01	P-Methoxyphenethyl methyl ether-d3
HY-79576S-01	Estrone 3-methyl ether-d3
465833-01	Salicylic Acid Methyl Ether-d3
461879	P-Nitrophenethyl Methyl Ether-d3

rac-Rotigotine-D3 Methyl Ether

Chemical Information

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