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

Details

Stereochemistry EPIMERIC
Molecular Formula C23H26F3N3O5
Molecular Weight 481.4648
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S)-2-AMINO-4,5-DIHYDRO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4-OXAZOLOL

SMILES

C[C@@]4(COC1=CC=C(C=C1)N2CCC(CC2)OC3=CC=C(OC(F)(F)F)C=C3)OC(N)=NC4O

InChI

InChIKey=LOIUPMWRSSZRAR-IAXKEJLGSA-N
InChI=1S/C23H26F3N3O5/c1-22(20(30)28-21(27)34-22)14-31-16-4-2-15(3-5-16)29-12-10-18(11-13-29)32-17-6-8-19(9-7-17)33-23(24,25)26/h2-9,18,20,30H,10-14H2,1H3,(H2,27,28)/t20?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26F3N3O5
Molecular Weight 481.4648
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 15:40:43 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:43 GMT 2023
Record UNII
J41GGO4PRS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5S)-2-AMINO-4,5-DIHYDRO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4-OXAZOLOL
Systematic Name English
4-OXAZOLOL, 2-AMINO-4,5-DIHYDRO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-, (5S)-
Systematic Name English
DELAMANID METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
146014892
Created by admin on Sat Dec 16 15:40:43 GMT 2023 , Edited by admin on Sat Dec 16 15:40:43 GMT 2023
PRIMARY
CAS
1202876-29-6
Created by admin on Sat Dec 16 15:40:43 GMT 2023 , Edited by admin on Sat Dec 16 15:40:43 GMT 2023
PRIMARY
FDA UNII
J41GGO4PRS
Created by admin on Sat Dec 16 15:40:43 GMT 2023 , Edited by admin on Sat Dec 16 15:40:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA