U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23F3N4O4.H2O
Molecular Weight 482.4529
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRENIGACESTAT MONOHYDRATE

SMILES

O.C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1C2=C(C=CC=C2)C3=C(N=CC=C3)N(CCO)C1=O

InChI

InChIKey=UWNXJDPMHPTTDL-ZYJMRSDMSA-N
InChI=1S/C22H23F3N4O4.H2O/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33;/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32);1H2/t13-,18-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CRENIGACESTAT MONOHYDRATE
Common Name English
BUTANAMIDE, N-((1S)-2-(((7S)-6,7-DIHYDRO-5-(2-HYDROXYETHYL)-6-OXO-5H-PYRIDO(3,2-A)(3)BENZAZEPIN-7-YL)AMINO)-1-METHYL-2-OXOETHYL)-4,4,4-TRIFLUORO-, HYDRATE (1:1)
Systematic Name English
JSMD-194 MONOHYDRATE
Code English
JSMD194 MONOHYDRATE
Code English
LY-3039478 MONOHYDRATE
Code English
Code System Code Type Description
PUBCHEM
71236991
Created by admin on Sat Dec 16 09:03:59 UTC 2023 , Edited by admin on Sat Dec 16 09:03:59 UTC 2023
PRIMARY
CAS
1421439-98-6
Created by admin on Sat Dec 16 09:03:59 UTC 2023 , Edited by admin on Sat Dec 16 09:03:59 UTC 2023
PRIMARY
FDA UNII
S0QN9P8R13
Created by admin on Sat Dec 16 09:03:59 UTC 2023 , Edited by admin on Sat Dec 16 09:03:59 UTC 2023
PRIMARY