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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N6O3
Molecular Weight 432.4751
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((7R)-4-(6-HYDROXY-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

SMILES

C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(C)=C2)N3N=CC=N3)C4=NC5=C(O4)C=C(O)C=C5

InChI

InChIKey=AVKMPKPNTDSURL-MRXNPFEDSA-N
InChI=1S/C23H24N6O3/c1-15-3-6-20(29-24-8-9-25-29)18(13-15)22(31)28-12-11-27(10-7-16(28)2)23-26-19-5-4-17(30)14-21(19)32-23/h3-6,8-9,13-14,16,30H,7,10-12H2,1-2H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H24N6O3
Molecular Weight 432.4751
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:35:01 GMT 2023
Edited
by admin
on Sat Dec 16 14:35:01 GMT 2023
Record UNII
85BCK54NR7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((7R)-4-(6-HYDROXY-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE
Systematic Name English
SUVOREXANT METABOLITE M16
Common Name English
L-002440875
Common Name English
Code System Code Type Description
FDA UNII
85BCK54NR7
Created by admin on Sat Dec 16 14:35:01 GMT 2023 , Edited by admin on Sat Dec 16 14:35:01 GMT 2023
PRIMARY
PUBCHEM
156613898
Created by admin on Sat Dec 16 14:35:01 GMT 2023 , Edited by admin on Sat Dec 16 14:35:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA