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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12FIN2O
Molecular Weight 394.1822
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-7-9957

SMILES

CN1C2=C(C=C(I)C=C2)C(=NCC1=O)C3=C(F)C=CC=C3

InChI

InChIKey=WKDHPXLDPOYJMH-UHFFFAOYSA-N
InChI=1S/C16H12FIN2O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H12FIN2O
Molecular Weight 394.1822
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:37 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:37 GMT 2023
Record UNII
K3141VKX05
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-7-9957
Common Name English
5-(2-FLUOROPHENYL)-1,3-DIHYDRO-7-IODO-1-METHYL-2H-1,4-BENZODIAZEPINE-2-ONE
Systematic Name English
2H-1,4-BENZODIAZEPIN-2-ONE, 5-(2-FLUOROPHENYL)-1,3-DIHYDRO-7-IODO-1-METHYL-
Systematic Name English
5-(2-FLUOROPHENYL)-1,3-DIHYDRO-7-IODO-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
34932-78-0
Created by admin on Fri Dec 15 15:24:37 GMT 2023 , Edited by admin on Fri Dec 15 15:24:37 GMT 2023
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EPA CompTox
DTXSID80877939
Created by admin on Fri Dec 15 15:24:37 GMT 2023 , Edited by admin on Fri Dec 15 15:24:37 GMT 2023
PRIMARY
PUBCHEM
118749
Created by admin on Fri Dec 15 15:24:37 GMT 2023 , Edited by admin on Fri Dec 15 15:24:37 GMT 2023
PRIMARY
FDA UNII
K3141VKX05
Created by admin on Fri Dec 15 15:24:37 GMT 2023 , Edited by admin on Fri Dec 15 15:24:37 GMT 2023
PRIMARY