Products 1030377-80-0

CAS 1030377-80-0 appears in our catalog under these names: Suvorexant Impurity B, ent-Suvorexant. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Suvorexant Impurity B
Chemat Brand
  • size: on request
  • Variants: 1
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ent-Suvorexant
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(7S)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CAS 1030377-80-0) is a chemical compound with the molecular formula C23H23ClN6O2 and a molecular weight of 450.9 g/mol. IUPAC name: [(7S)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone. InChIKey: JYTNQNCOQXFQPK-INIZCTEOSA-N.

Identity
Molecular formulaC23H23ClN6O2
Molecular weight450.9 g/mol
IUPAC name[(7S)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
InChIKeyJYTNQNCOQXFQPK-INIZCTEOSA-N
SMILESC[C@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl

Computed by PubChem (NCBI)

Synonyms: Suvorexant Impurity B, Suvorexant Impurity 1, ent-Suvorexant, Suvorexant, (S)-, Controlled Substance<br>(Suvorexant Impurity B)
Related forms of this compound
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone C23H23ClN6O2
Isomers (same molecular formula)
[(5R)-4-(5-chloro-1,3-benzoxazol-2-yl)-5-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone C23H23ClN6O2
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-1-yl)phenyl]methanone C23H23ClN6O2