N-((2R)-2-HYDROXY-2-METHYL-3-(4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)PROPYL)UREA

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

Structure Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 15:16:02 UTC 2023`
Record UNII	K8PU3RW2FI
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 15:16:02 UTC 2023

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PUBCHEM

140148514

Created by admin on Sat Dec 16 15:16:02 UTC 2023 , Edited by admin on Sat Dec 16 15:16:02 UTC 2023

PRIMARY

FDA UNII

K8PU3RW2FI

Created by admin on Sat Dec 16 15:16:02 UTC 2023 , Edited by admin on Sat Dec 16 15:16:02 UTC 2023

PRIMARY

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DELAMANID

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Qualification:

PLASMA

Amount: