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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=CC=CC=N3)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
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 14:11:26 UTC 2019
Edited
by admin
on Tue Oct 22 14:11:26 UTC 2019
Record UNII
0HXB5NG8TY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CNS-7054
Common Name English
4H-IMIDAZO(1,2-A)(1,4)BENZODIAZEPINE-4-PROPANOIC ACID, 8-BROMO-1-METHYL-6-(2-PYRIDINYL)-, (4S)-
Common Name English
CNS 7054
Code English
Code System Code Type Description
CAS
960305-91-3
Created by admin on Tue Oct 22 14:11:26 UTC 2019 , Edited by admin on Tue Oct 22 14:11:26 UTC 2019
PRIMARY
PUBCHEM
46941174
Created by admin on Tue Oct 22 14:11:26 UTC 2019 , Edited by admin on Tue Oct 22 14:11:26 UTC 2019
PRIMARY
EPA CompTox
960305-91-3
Created by admin on Tue Oct 22 14:11:26 UTC 2019 , Edited by admin on Tue Oct 22 14:11:26 UTC 2019
PRIMARY
Related Record Type Details
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