809853

Allopregnanolone-2,2,3,4,4-d₅ solution

100 μg/mL in methanol, ≥98 atom % D, ≥98% (CP)

• Empirical Formula (Hill Notation): C₂₁D₅H₂₉O₂
• Molecular Weight: 323.52
• EC Number: 200-659-6
• UNSPSC Code: 12352211
• PubChem Substance ID: 329769193
• NACRES: NA.12

Properties

• isotopic purity: ≥98 atom % D
• Quality Level: 200
• Assay: ≥98% (CP)
• form: solution
• concentration: 100 μg/mL in methanol
• technique(s): mass spectrometry (MS): suitable
• mass shift: M+5
• storage temp.: −20°C
• SMILES string: C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4C(C)=O)([H])C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C1
• InChI: 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1/i8D2,12D2,15D
• InChI key: AURFZBICLPNKBZ-DXLOLUHISA-N

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Target Organs: Eyes
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 49.5 °F
• Flash Point(C): 9.7 °C