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Details

Stereochemistry EPIMERIC
Molecular Formula C26H24F3NO4
Molecular Weight 471.4683
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETRASIMOD METABOLITE M6

SMILES

OC(=O)C[C@H]1CCC2=C1NC3=CC=C(OCC4=CC(=C(C=C4)C5CCC(=O)C5)C(F)(F)F)C=C23

InChI

InChIKey=XSCGHFUUPBFGJV-OEMAIJDKSA-N
InChI=1S/C26H24F3NO4/c27-26(28,29)22-9-14(1-6-19(22)15-2-4-17(31)10-15)13-34-18-5-8-23-21(12-18)20-7-3-16(11-24(32)33)25(20)30-23/h1,5-6,8-9,12,15-16,30H,2-4,7,10-11,13H2,(H,32,33)/t15?,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H24F3NO4
Molecular Weight 471.4683
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:20 GMT 2023
Edited
by admin
on Sat Dec 16 18:51:20 GMT 2023
Record UNII
3B5VKU5F9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETRASIMOD METABOLITE M6
Common Name English
CYCLOPENT(B)INDOLE-3-ACETIC ACID, 1,2,3,4-TETRAHYDRO-7-((4-((1RS)-3-OXOCYCLOPENTYL)-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)-, (3R)-
Systematic Name English
Code System Code Type Description
FDA UNII
3B5VKU5F9L
Created by admin on Sat Dec 16 18:51:20 GMT 2023 , Edited by admin on Sat Dec 16 18:51:20 GMT 2023
PRIMARY
PUBCHEM
165412110
Created by admin on Sat Dec 16 18:51:20 GMT 2023 , Edited by admin on Sat Dec 16 18:51:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE