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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N6O4
Molecular Weight 448.4745
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-(HYDROXYMETHYL)-2-(TRIAZOL-2-YL)PHENYL)METHANONE

SMILES

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

InChI

InChIKey=OMHGOYGLUDQNOO-OAHLLOKOSA-N
InChI=1S/C23H24N6O4/c1-15-6-9-27(23-26-19-4-3-17(31)13-21(19)33-23)10-11-28(15)22(32)18-12-16(14-30)2-5-20(18)29-24-7-8-25-29/h2-5,7-8,12-13,15,30-31H,6,9-11,14H2,1H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H24N6O4
Molecular Weight 448.4745
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 14:52:15 GMT 2023
Edited
by admin
on Sat Dec 16 14:52:15 GMT 2023
Record UNII
7Z8T8DJW5C
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-(HYDROXYMETHYL)-2-(TRIAZOL-2-YL)PHENYL)METHANONE
Systematic Name English
SUVOREXANT METABOLITE M17
Common Name English
L-002440877
Code English
Code System Code Type Description
PUBCHEM
156596706
Created by admin on Sat Dec 16 14:52:15 GMT 2023 , Edited by admin on Sat Dec 16 14:52:15 GMT 2023
PRIMARY
FDA UNII
7Z8T8DJW5C
Created by admin on Sat Dec 16 14:52:15 GMT 2023 , Edited by admin on Sat Dec 16 14:52:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA