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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14N2O
Molecular Weight 190.2417
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S)-1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-2H-3-BENZAZEPIN-2-ONE

SMILES

CN1CCC2=C(C=CC=C2)[C@H](N)C1=O

InChI

InChIKey=RETLCOJLSHBJEZ-JTQLQIEISA-N
InChI=1S/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(1S)-1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-2H-3-BENZAZEPIN-2-ONE
Common Name English
SEMAGACESTAT METABOLITE M2
Common Name English
(S)-1-AMINO-3-METHYL-4,5-DIHYDRO-1H-BENZO(D)AZEPIN-2(3H)-ONE
Systematic Name English
2H-3-BENZAZEPIN-2-ONE, 1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-, (1S)-
Systematic Name English
Code System Code Type Description
CAS
253324-92-4
Created by admin on Sat Dec 16 16:32:27 GMT 2023 , Edited by admin on Sat Dec 16 16:32:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID80657697
Created by admin on Sat Dec 16 16:32:27 GMT 2023 , Edited by admin on Sat Dec 16 16:32:27 GMT 2023
PRIMARY
FDA UNII
Z463545GW2
Created by admin on Sat Dec 16 16:32:27 GMT 2023 , Edited by admin on Sat Dec 16 16:32:27 GMT 2023
PRIMARY
PUBCHEM
44178390
Created by admin on Sat Dec 16 16:32:27 GMT 2023 , Edited by admin on Sat Dec 16 16:32:27 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of SEMAGACESTAT
NIH
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