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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 (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)PHENYL)METHANOL

SMILES

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

InChI

InChIKey=GALQAEACISWTMT-OAHLLOKOSA-N
InChI=1S/C23H23ClN6O3/c1-15-6-9-28(23-27-19-13-17(24)3-5-21(19)33-23)10-11-29(15)22(32)18-12-16(14-31)2-4-20(18)30-25-7-8-26-30/h2-5,7-8,12-13,15,31H,6,9-11,14H2,1H3/t15-/m1/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 18:34:52 UTC 2023
Edited
by admin
on Sat Dec 16 18:34:52 UTC 2023
Record UNII
V5V4BX93AT
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)PHENYL)METHANOL
Systematic Name English
METHANONE, ((7R)-4-(5-CHLORO-2-BENZOXAZOLYL)HEXAHYDRO-7-METHYL-1H-1,4-DIAZEPIN-1-YL)(5-(HYDROXYMETHYL)-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)-
Systematic Name English
L-002015883
Code English
SUVOREXANT METABOLITE M9
Common Name English
Code System Code Type Description
CAS
1030377-39-9
Created by admin on Sat Dec 16 18:34:52 UTC 2023 , Edited by admin on Sat Dec 16 18:34:52 UTC 2023
PRIMARY
FDA UNII
V5V4BX93AT
Created by admin on Sat Dec 16 18:34:52 UTC 2023 , Edited by admin on Sat Dec 16 18:34:52 UTC 2023
PRIMARY
PUBCHEM
24965987
Created by admin on Sat Dec 16 18:34:52 UTC 2023 , Edited by admin on Sat Dec 16 18:34:52 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA