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Carisoprodol-d3

CAT: 0572-TRC-C183582-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183582-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215602-82-6
Synonyms
Carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-(methyl-d3)pentyl ester; Carisoprodol-d3; Carisoprodol-D3 (methyl-D3); 2-((Carbamoyloxy)methyl)-2-(methyl-d3)pentyl isopropylcarbamate; N-(1-Methylethyl)carbamic acid 2-[[(aminocarbonyl)oxy]methyl]-2-(methyl-d3)pentyl ester
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)NC(C)C
Molecular Formula
C12 2H3 H21 N2 O4
Molecular Weight
263.35
InChI
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)/i4D3
Additionnal Information
IUPAC name: [2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] N-propan-2-ylcarbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Carisoprodol-d3
CAS Number1215602-82-6
PubChem CID45110752
IUPAC Name[2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] N-propan-2-ylcarbamate
Molecular FormulaC12H24N2O4
Molecular Weight263.35
XLogP1.9
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity281
SMILES
[2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)NC(C)C
InChI
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)/i4D3
InChIKey
OFZCIYFFPZCNJE-GKOSEXJESA-N
Chemical Structure
2D Structure
2D structure of Carisoprodol-d3
CAS: 1215602-82-6
CID: 45110752
Formula: C12H24N2O4
MW: 263.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.35
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass263.19243749
Monoisotopic Mass263.19243749
Topological Polar Surface Area90.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity281
Isotope Atom Count3
Defined Atom Stereocenter Count0
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

CatalogName
AR-C01477-01Carisoprodol-d3
445986-01Dehydro Carisoprodol-d3
C1385-15Carisoprodol, Methyl-d3
MBS6070538-01Carisoprodol
163016Carisoprodol Glucuronide
470471Carisoprodol (Soma)
sc-504694Carisoprodol-d7
DAA42434-01Hydroxy carisoprodol
445985-01Dehydro Carisoprodol
445987-01Dehydro Carisoprodol-d7

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