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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31FN2O6
Molecular Weight 522.5646
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SCH-609528

SMILES

[H][C@@]12C[C@]3([H])C[C@@]([H])(CC[C@@]3([H])[C@]([H])(\C=C\C4=CC=C(C=N4)C5=CC(F)=CC=C5)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC(O)=O

InChI

InChIKey=MWFWHICQILZXSQ-XMEGWQNCSA-N
InChI=1S/C29H31FN2O6/c1-16-27-24(10-7-21-6-5-18(14-31-21)17-3-2-4-20(30)11-17)23-9-8-22(32-29(36)37-15-26(33)34)12-19(23)13-25(27)28(35)38-16/h2-7,10-11,14,16,19,22-25,27H,8-9,12-13,15H2,1H3,(H,32,36)(H,33,34)/b10-7+/t16-,19+,22-,23-,24+,25-,27+/m1/s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
SCH-609528
Common Name English
VORAPAXAR METABOLITE M16
Common Name English
SCH-530348 METABOLITE M16
Common Name English
ACETIC ACID, 2-(((((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(5-(3-FLUOROPHENYL)-2-PYRIDINYL)ETHENYL)DODECAHYDRO-1-METHYL-3-OXONAPHTHO(2,3-C)FURAN-6-YL)AMINO)CARBONYL)OXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
68Z4L9GR8Q
Created by admin on Sat Dec 16 09:55:54 GMT 2023 , Edited by admin on Sat Dec 16 09:55:54 GMT 2023
PRIMARY
CAS
618385-66-3
Created by admin on Sat Dec 16 09:55:54 GMT 2023 , Edited by admin on Sat Dec 16 09:55:54 GMT 2023
PRIMARY
PUBCHEM
24830431
Created by admin on Sat Dec 16 09:55:54 GMT 2023 , Edited by admin on Sat Dec 16 09:55:54 GMT 2023
PRIMARY