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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClN6O3
Molecular Weight 466.92
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((7S)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-(HYDROXYMETHYL)-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE

SMILES

CC1=CC(C(=O)N2CCN(CC[C@H]2CO)C3=NC4=C(O3)C=CC(Cl)=C4)=C(C=C1)N5N=CC=N5

InChI

InChIKey=YHLUBSKZTKXZLQ-KRWDZBQOSA-N
InChI=1S/C23H23ClN6O3/c1-15-2-4-20(30-25-7-8-26-30)18(12-15)22(32)29-11-10-28(9-6-17(29)14-31)23-27-19-13-16(24)3-5-21(19)33-23/h2-5,7-8,12-13,17,31H,6,9-11,14H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23ClN6O3
Molecular Weight 466.92
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 15:16:56 GMT 2023
Edited
by admin
on Sat Dec 16 15:16:56 GMT 2023
Record UNII
BQ3ZED7JDX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((7S)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-(HYDROXYMETHYL)-1,4-DIAZEPAN-1-YL)-(5-METHYL-2-(TRIAZOL-2-YL)PHENYL)METHANONE
Systematic Name English
L-002083792
Common Name English
SUVOREXANT METABOLITE M10A
Common Name English
Code System Code Type Description
PUBCHEM
155928945
Created by admin on Sat Dec 16 15:16:56 GMT 2023 , Edited by admin on Sat Dec 16 15:16:56 GMT 2023
PRIMARY
FDA UNII
BQ3ZED7JDX
Created by admin on Sat Dec 16 15:16:56 GMT 2023 , Edited by admin on Sat Dec 16 15:16:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
In plasma, M10A was the minor metabolite. In feces, M10A was accounted for 9% of dose.
FECAL; PLASMA