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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H40FN5O2.C4H4O4
Molecular Weight 625.7308
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PF-00232798 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)C5=CC=CC(F)=C5

InChI

InChIKey=QLJWVEIOTDXIRX-YXFITVAVSA-N
InChI=1S/C29H40FN5O2.C4H4O4/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21;5-3(6)1-2-4(7)8/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-,24+,25+,26-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PF-00232798 FUMARATE
Common Name English
ACETAMIDE, N-((1S)-1-(3-FLUOROPHENYL)-3-((3-ENDO)-3-(4,5,6,7-TETRAHYDRO-2-METHYL-5-(2-METHYL-1-OXOPROPYL)-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)-8-AZABICYCLO(3.2.1)OCT-8-YL)PROPYL)-, (2E)-2-BUTENEDIOATE (1:1)
Common Name English
PF-232798 FUMARATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801005306
Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023
PRIMARY
PUBCHEM
68502634
Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023
PRIMARY
FDA UNII
8H0Z3KG6OL
Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023
PRIMARY
CAS
849753-20-4
Created by admin on Sat Dec 16 04:48:50 UTC 2023 , Edited by admin on Sat Dec 16 04:48:50 UTC 2023
PRIMARY