492531

Equilin-2,4,16,16-d₄ 3-sulfate sodium salt

≥97 atom % D, ≥96% (CP), contains 50% TRIS-d₅ as stabilizer

• Synonym(s): Sodium equilin-3-sulfate-2,4,16,16-d₄
• Empirical Formula (Hill Notation): C₁₈D₄H₁₅NaO₅S
• CAS Number: 285979-81-9
• Molecular Weight: 374.42
• MDL number: MFCD01075458
• UNSPSC Code: 12352202
• PubChem Substance ID: 24872758

Properties

• isotopic purity: ≥97 atom % D
• Assay: ≥96% (CP)
• form: solid
• contains: 50% TRIS-d₅ as stabilizer
• mp: 230 °C (lit.)
• mass shift: M+4
• SMILES string: [Na+].[H][C@]12CCC3(C)C(=O)C([2H])([2H])C[C@@]3([H])C1=CCc4c([2H])c(OS([O-])(=O)=O)c([2H])cc24
• InChI: 1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18?;/m1./s1/i3D,7D2,10D;
• InChI key: QTTMOCOWZLSYSV-YWDHUTFRSA-M

Description

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H315,H319,H335,H350
• Precautionary Statements: P202 - P261 - P264 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable