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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28F3N3O5
Molecular Weight 483.4807
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2R)-2-HYDROXY-2-METHYL-3-(4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)PROPYL)UREA

SMILES

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

InChI

InChIKey=VAFLFWYZIBQDBB-JOCHJYFZSA-N
InChI=1S/C23H28F3N3O5/c1-22(31,14-28-21(27)30)15-32-17-4-2-16(3-5-17)29-12-10-19(11-13-29)33-18-6-8-20(9-7-18)34-23(24,25)26/h2-9,19,31H,10-15H2,1H3,(H3,27,28,30)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H28F3N3O5
Molecular Weight 483.4807
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 15:16:02 GMT 2023
Edited
by admin
on Sat Dec 16 15:16:02 GMT 2023
Record UNII
K8PU3RW2FI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2R)-2-HYDROXY-2-METHYL-3-(4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)PROPYL)UREA
Systematic Name English
DELAMANID METABOLITE M5
Common Name English
UREA, N-((2R)-2-HYDROXY-2-METHYL-3-(4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)PROPYL)-
Systematic Name English
Code System Code Type Description
CAS
1194254-67-5
Created by admin on Sat Dec 16 15:16:02 GMT 2023 , Edited by admin on Sat Dec 16 15:16:02 GMT 2023
PRIMARY
PUBCHEM
140148514
Created by admin on Sat Dec 16 15:16:02 GMT 2023 , Edited by admin on Sat Dec 16 15:16:02 GMT 2023
PRIMARY
FDA UNII
K8PU3RW2FI
Created by admin on Sat Dec 16 15:16:02 GMT 2023 , Edited by admin on Sat Dec 16 15:16:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA