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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H21ClN6O4
Molecular Weight 480.904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)CARBONYL)-4-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID

SMILES

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

InChI

InChIKey=XVENCVVPKSCKJQ-CQSZACIVSA-N
InChI=1S/C23H21ClN6O4/c1-14-6-9-28(23-27-18-13-16(24)3-5-20(18)34-23)10-11-29(14)21(31)17-12-15(22(32)33)2-4-19(17)30-25-7-8-26-30/h2-5,7-8,12-14H,6,9-11H2,1H3,(H,32,33)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H21ClN6O4
Molecular Weight 480.904
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 14:52:14 GMT 2023
Edited
by admin
on Sat Dec 16 14:52:14 GMT 2023
Record UNII
G8R68A764K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4-DIAZEPAN-1-YL)CARBONYL)-4-(2H-1,2,3-TRIAZOL-2-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(((7R)-4-(5-CHLORO-2-BENZOXAZOLYL)HEXAHYDRO-7-METHYL-1H-1,4-DIAZEPIN-1-YL)CARBONYL)-4-(2H-1,2,3-TRIAZOL-2-YL)-
Systematic Name English
SUVOREXANT METABOLITE M4
Common Name English
Code System Code Type Description
CAS
1030377-38-8
Created by admin on Sat Dec 16 14:52:14 GMT 2023 , Edited by admin on Sat Dec 16 14:52:14 GMT 2023
PRIMARY
FDA UNII
G8R68A764K
Created by admin on Sat Dec 16 14:52:14 GMT 2023 , Edited by admin on Sat Dec 16 14:52:14 GMT 2023
PRIMARY
PUBCHEM
24965988
Created by admin on Sat Dec 16 14:52:14 GMT 2023 , Edited by admin on Sat Dec 16 14:52:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
M4 was the minor metabolite in plasma, but M4 was the major metabolite in urine and feces, accounting for 4.1% and 17.0% of the dose, respectively.
FECAL; PLASMA; URINE