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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24F3N3O5
Molecular Weight 479.449
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S)-2-AMINO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4(5H)-OXAZOLONE

SMILES

C[C@@]4(COC1=CC=C(C=C1)N2CCC(CC2)OC3=CC=C(OC(F)(F)F)C=C3)OC(=N)NC4=O

InChI

InChIKey=ZYRGKDSOTQSDFK-QFIPXVFZSA-N
InChI=1S/C23H24F3N3O5/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/h2-9,18H,10-14H2,1H3,(H2,27,28,30)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H24F3N3O5
Molecular Weight 479.449
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:44:17 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:17 GMT 2023
Record UNII
5M6F340U2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5S)-2-AMINO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4(5H)-OXAZOLONE
Systematic Name English
4(5H)-OXAZOLONE, 2-AMINO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-, (5S)-
Systematic Name English
DELAMANID METABOLITE M3
Common Name English
Code System Code Type Description
FDA UNII
5M6F340U2F
Created by admin on Sat Dec 16 15:44:17 GMT 2023 , Edited by admin on Sat Dec 16 15:44:17 GMT 2023
PRIMARY
CAS
1202876-23-0
Created by admin on Sat Dec 16 15:44:17 GMT 2023 , Edited by admin on Sat Dec 16 15:44:17 GMT 2023
PRIMARY
PUBCHEM
44511500
Created by admin on Sat Dec 16 15:44:17 GMT 2023 , Edited by admin on Sat Dec 16 15:44:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA