ent-Suvorexant

cas: 1030377-80-0 — see every product listed under this CAS number, including other names

ent-Suvorexant (CAS 1030377-80-0) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-S174110-50MG
cas1030377-80-0
size50mg
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properties

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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

Also listed as

Suvorexant Impurity B Chemat Brand CAS 1030377-80-0