524956

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

≥95 atom % D, ≥99% (CP), contains 35% TRIS-d₅ as stabilizer

• Synonym(s): Estra-1,3,5(10)-trien-17-one-2,4,16,16-d₄, 3-(sulfooxy)-, sodium salt)
• Empirical Formula (Hill Notation): C₁₈D₄H₁₇NaO₅S
• CAS Number: 285979-80-8
• Molecular Weight: 376.44
• MDL number: MFCD01317421
• UNSPSC Code: 12352211
• PubChem Substance ID: 24874453
• NACRES: NA.12

Properties

• isotopic purity: ≥95 atom % D
• Quality Level: 200
• assay: ≥99% (CP)
• contains: 35% TRIS-d₅ as stabilizer
• technique(s): mass spectrometry (MS): suitable
• mp: 300 °C (lit.)
• mass shift: M+4
• storage temp.: −20°C
• SMILES string: [Na+].[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1OS([O-])(=O)=O
• InChI: 1S/C18H22O5S.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,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1/i3D,7D2,10D;
• InChI key: VUCAHVBMSFIGAI-IGBMKMNFSA-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
• signalword: Danger
• hcodes: H315,H319,H335,H350,H360
• pcodes: P201 - P261 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges