U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17BrN4O2
Molecular Weight 425.279
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CNS-7054

SMILES

CC1=CN=C2[C@H](CCC(O)=O)N=C(C3=NC=CC=C3)C4=CC(Br)=CC=C4N12

InChI

InChIKey=YOIMNRZPSLYTHB-INIZCTEOSA-N
InChI=1S/C20H17BrN4O2/c1-12-11-23-20-16(6-8-18(26)27)24-19(15-4-2-3-9-22-15)14-10-13(21)5-7-17(14)25(12)20/h2-5,7,9-11,16H,6,8H2,1H3,(H,26,27)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17BrN4O2
Molecular Weight 425.279
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 07:09:49 UTC 2023
Edited
by admin
on Sat Dec 16 07:09:49 UTC 2023
Record UNII
0HXB5NG8TY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CNS-7054
Code English
4H-IMIDAZO(1,2-A)(1,4)BENZODIAZEPINE-4-PROPANOIC ACID, 8-BROMO-1-METHYL-6-(2-PYRIDINYL)-, (4S)-
Systematic Name English
CNS 7054
Code English
REMIMAZOLAM ACID
Common Name English
Code System Code Type Description
CAS
960305-91-3
Created by admin on Sat Dec 16 07:09:49 UTC 2023 , Edited by admin on Sat Dec 16 07:09:49 UTC 2023
PRIMARY
PUBCHEM
46941174
Created by admin on Sat Dec 16 07:09:49 UTC 2023 , Edited by admin on Sat Dec 16 07:09:49 UTC 2023
PRIMARY
FDA UNII
0HXB5NG8TY
Created by admin on Sat Dec 16 07:09:49 UTC 2023 , Edited by admin on Sat Dec 16 07:09:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID20242102
Created by admin on Sat Dec 16 07:09:49 UTC 2023 , Edited by admin on Sat Dec 16 07:09:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PLASMA
PARENT -> METABOLITE INACTIVE
URINE
PARENT -> METABOLITE
URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC