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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27N3O4.2H2O
Molecular Weight 397.4659
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEMAGACESTAT DIHYDRATE

SMILES

O.O.CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C2=C(CCN(C)C1=O)C=CC=C2

InChI

InChIKey=MVWVSAKBHYNDEF-ANYPDPQESA-N
InChI=1S/C19H27N3O4.2H2O/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26;;/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24);2*1H2/t12-,15-,16-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SEMAGACESTAT DIHYDRATE
Common Name English
BUTANAMIDE, 2-HYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, DIHYDRATE, (2S)-
Systematic Name English
LY-450139 DIHYDRATE
Code English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Fri Dec 15 17:30:09 UTC 2023 , Edited by admin on Fri Dec 15 17:30:09 UTC 2023
Code System Code Type Description
PUBCHEM
9843749
Created by admin on Fri Dec 15 17:30:09 UTC 2023 , Edited by admin on Fri Dec 15 17:30:09 UTC 2023
PRIMARY
NCI_THESAURUS
C97363
Created by admin on Fri Dec 15 17:30:09 UTC 2023 , Edited by admin on Fri Dec 15 17:30:09 UTC 2023
PRIMARY
FDA UNII
66YH9K8271
Created by admin on Fri Dec 15 17:30:09 UTC 2023 , Edited by admin on Fri Dec 15 17:30:09 UTC 2023
PRIMARY