Oxybate D2
Also known as 4,4-d2-4-Hydroxybutanoic acid, Butanoic-4,4-d2 acid, 4-hydroxy-, 4,4-Dideuterio-4-hydroxybutanoic acid
Key facts
What buyers check first
- CAS number
- 1261734-76-2
- Formula
- C4H8O3
- Molar mass
- 106.12 g/mol
- HS code
- 284590
- Category
- Isotope-labelled compounds
What is Oxybate D2?
Plain description, key identifiers and synonyms
Oxybate D2 is a chemical substance with the molecular formula C4H8O3 and a molar mass of 106.12 g/mol. Its CAS registry number is 1261734-76-2. The IUPAC name is 4,4-dideuterio-4-hydroxybutanoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4,4-dideuterio-4-hydroxybutanoic acid
- CAS number
- 1261734-76-2
- Molecular formula
- C4H8O3
- UNII
- 25RDI1PRY8
- InChIKey
- SJZRECIVHVDYJC-SMZGMGDZSA-N
- InChI
- InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/i3D2
- Canonical SMILES
- O=C(O)CCCO
- Isomeric SMILES
- [2H]C([2H])(CCC(=O)O)O
Synonyms
- 4,4-d2-4-Hydroxybutanoic acid
- Butanoic-4,4-d2 acid, 4-hydroxy-
- 4,4-Dideuterio-4-hydroxybutanoic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 106.12 g/molcalc.Computed value |
|---|---|
| Exact mass | 106.0599 Dacalc.Computed value |
| LogP (octanol/water) | -0.16calc.Computed value |
| Topological polar surface area | 57.53 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 7calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.75calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Oxybate D2 suppliers
Trading restrictions apply to this substance
Oxybate D2 is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971 Schedule II
Our policy on controlled substancesOxybate D2 price
Indicative price range per kg from live supplier offers
Prices are not shown for prohibited substances.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
Oxybate D2 is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971 Schedule II
Our policy on controlled substancesHS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Oxybate D2 is traded under.
Compounds, inorganic or organic, of such isotopes, whether or not chemically defined
- Ireland55.3%
- Hong Kong11.8%
- United States10.7%
- China24.3%
- Ireland21.9%
- South Korea13.3%
The HS code shown for Oxybate D2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Oxybate D2, based on the data on this page
What is Oxybate D2?
What is the CAS number of Oxybate D2?
What is the molecular formula and weight of Oxybate D2?
What is Oxybate D2 used for?
Is Oxybate D2 hazardous?
What is the HS code of Oxybate D2?
Can I buy Oxybate D2 on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Oxybate D2
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Explore more in Isotope-labelled compounds or HS code 284590