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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H12BrFN2O
Molecular Weight 347.182
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SH-I-048A

SMILES

C[C@@H]1N=C(C2=C(F)C=CC=C2)C3=C(NC1=O)C=CC(Br)=C3

InChI

InChIKey=QEFZCKUXGLDPPT-VIFPVBQESA-N
InChI=1S/C16H12BrFN2O/c1-9-16(21)20-14-7-6-10(17)8-12(14)15(19-9)11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,21)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H12BrFN2O
Molecular Weight 347.182
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 18:36:35 UTC 2023
Edited
by admin
on Sat Dec 16 18:36:35 UTC 2023
Record UNII
KN27P6CSU9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SH-I-048A
Code English
2H-1,4-BENZODIAZEPIN-2-ONE, 7-BROMO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-METHYL-, (3R)-
Systematic Name English
(3R)-7-BROMO-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
Systematic Name English
(3R)-7-BROMO-5-(2-FLUOROPHENYL)-3-METHYL-1,3-DIHYDROBENZO(E)(1,4)DIAZEPIN-2-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
KN27P6CSU9
Created by admin on Sat Dec 16 18:36:35 UTC 2023 , Edited by admin on Sat Dec 16 18:36:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID801336478
Created by admin on Sat Dec 16 18:36:35 UTC 2023 , Edited by admin on Sat Dec 16 18:36:35 UTC 2023
PRIMARY
WIKIPEDIA
SH-I-048A
Created by admin on Sat Dec 16 18:36:35 UTC 2023 , Edited by admin on Sat Dec 16 18:36:35 UTC 2023
PRIMARY
CAS
872874-11-8
Created by admin on Sat Dec 16 18:36:35 UTC 2023 , Edited by admin on Sat Dec 16 18:36:35 UTC 2023
PRIMARY
PUBCHEM
49850464
Created by admin on Sat Dec 16 18:36:35 UTC 2023 , Edited by admin on Sat Dec 16 18:36:35 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY