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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33FN2O5
Molecular Weight 508.5811
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SCH-2046273

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)OCCO

InChI

InChIKey=ZHYYTGYLGLSISZ-VERGWIBFSA-N
InChI=1S/C29H33FN2O5/c1-17-27-25(10-7-22-6-5-19(16-31-22)18-3-2-4-21(30)13-18)24-9-8-23(32-29(35)36-12-11-33)14-20(24)15-26(27)28(34)37-17/h2-7,10,13,16-17,20,23-27,33H,8-9,11-12,14-15H2,1H3,(H,32,35)/b10-7+/t17-,20+,23-,24-,25+,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H33FN2O5
Molecular Weight 508.5811
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:55 UTC 2023
Edited
by admin
on Sat Dec 16 08:15:55 UTC 2023
Record UNII
9D8C5T8E6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCH-2046273
Common Name English
SCH-530348 METABOLITE M20
Common Name English
CARBAMIC ACID, N-((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)-, 2-HYDROXYETHYL ESTER
Systematic Name English
VORAPAXAR METABOLITE M20
Common Name English
Code System Code Type Description
PUBCHEM
49838773
Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023
PRIMARY
CAS
1256919-03-5
Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023
PRIMARY
FDA UNII
9D8C5T8E6W
Created by admin on Sat Dec 16 08:15:55 UTC 2023 , Edited by admin on Sat Dec 16 08:15:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
20% OF THE CIRCULATING DRUG
MAJOR
PLASMA