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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29FN2O2
Molecular Weight 420.5191
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SCH-540679

SMILES

C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](\C=C\C4=NC=C(C=C4)C5=CC(F)=CC=C5)[C@H]12

InChI

InChIKey=GTYWVNGLHQVHBJ-FRGGEYDCSA-N
InChI=1S/C26H29FN2O2/c1-15-25-23(22-9-6-20(28)12-18(22)13-24(25)26(30)31-15)10-8-21-7-5-17(14-29-21)16-3-2-4-19(27)11-16/h2-5,7-8,10-11,14-15,18,20,22-25H,6,9,12-13,28H2,1H3/b10-8+/t15-,18+,20-,22-,23+,24-,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
SCH-530348 METABOLITE M19
Preferred Name English
SCH-540679
Common Name English
VORAPAXAR METABOLITE M19
Common Name English
NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 7-AMINO-4-((1E)-2-(5-(3-FLUOROPHENYL)-2-PYRIDINYL)ETHENYL)DECAHYDRO-3-METHYL-, (3R,3AS,4S,4AR,7R,8AR,9AR)
Systematic Name English
Code System Code Type Description
CAS
618386-15-5
Created by admin on Mon Mar 31 22:55:22 GMT 2025 , Edited by admin on Mon Mar 31 22:55:22 GMT 2025
PRIMARY
FDA UNII
513C7Y5G0B
Created by admin on Mon Mar 31 22:55:22 GMT 2025 , Edited by admin on Mon Mar 31 22:55:22 GMT 2025
PRIMARY
PUBCHEM
24878828
Created by admin on Mon Mar 31 22:55:22 GMT 2025 , Edited by admin on Mon Mar 31 22:55:22 GMT 2025
PRIMARY