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(±)-Atropine-D3

CAT: 0572-TRC-A794632-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A794632-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60365-55-1
Synonyms
Benzeneacetic acid, α-(hydroxymethyl)-, 8-(methyl-d3)-8-azabicyclo[3.2.1]oct-3-yl ester, endo- (9CI); Benzeneacetic acid, α-(hydroxymethyl)-, 8-(methyl-d3)-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)- (ZCI); α-(Hydroxymethyl)benzeneacetic acid endo-8-(methyl-d3)-8-azabicyclo[3.2.1]oct-3-yl ester; Atropine-(N-methyl-D3); Atropine D3 (N-methyl D3); (±)-Atropine-d3 (N-methyl-d3); (±)-Atropine-D3
Hazard Statement
Fatal if swallowed; UN number: UN1544; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@@H](CO)c3ccccc3
Molecular Formula
C17 D3 H20 N O3
Molecular Weight
292.3879
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m0/s1/i1D3
Additionnal Information
IUPAC name: [rac-(1R,5S)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] rac-(2R)-3-hydroxy-2-phenylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(+/-)-Atropine-D3
CAS Number60365-55-1
PubChem CID44224297
IUPAC Name[(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Molecular FormulaC17H23NO3
Molecular Weight292.39
XLogP1.8
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
[2H]C([2H])([2H])N1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?/i1D3
InChIKey
RKUNBYITZUJHSG-KVOIBRKRSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Atropine-D3
CAS: 60365-55-1
CID: 44224297
Formula: C17H23NO3
MW: 292.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.39
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass292.18662383
Monoisotopic Mass292.18662383
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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441912-01(±) -Atropine-D3
RM-A180927-01Atropine-13C-D3
HY-B1205S-01(Rac) -Atropine-d3
TMID-0258-01(±) -Atropine-d3 (N-methyl-d3)
FA32433-01Atropine
HY-W587927-01α-Hydroxymethyl atropine
CS-T-95209Atropine-d5
HY-122510Atropine oxide
AB2512Atropine Sulfat
MBS3605014-01Atropine sulfate

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