W104

WIN 62,577

solid

• Synonym(s): 17-β-Hydroxy-17-α-ethynyl-δ-4-androstano[3,2-b]pyrimido[1,2-a]benzimidazole
• Empirical Formula (Hill Notation): C₂₉H₃₁N₃O
• CAS Number: 138091-43-7
• Molecular Weight: 437.58
• MDL number: MFCD00153883
• UNSPSC Code: 12352200
• PubChem Substance ID: 24278780
• NACRES: NA.77

Properties

• form: solid
• Quality Level: 100
• color: yellow
• solubility: ethanol: 1.4 mg/mL; DMSO: 4 mg/mL; H₂O: insoluble
• storage temp.: −20°C
• SMILES string: [H][C@@]12CCC3=Cc4nc5nc6ccccc6n5cc4C[C@]3(C)[C@@]1([H])CC[C@@]7(C)[C@@]2([H])CC[C@@]7(O)C#C
• InChI: 1S/C29H31N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,15,17,20-22,33H,9-14,16H2,2-3H3/t20-,21+,22+,27+,28+,29+/m1/s1
• InChI key: YBCYJDNOPAFFOW-XOAARHKISA-N
• Gene Information: human ... TACR1(6869) ; rat ... Tacr1(24807)

Description

Biochem/physiol Actions

Non-peptide NK₁ tachykinin receptor antagonist.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves