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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25F3N4O6
Molecular Weight 534.4844
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELAMANID

SMILES

C[C@]4(COC1=CC=C(C=C1)N2CCC(CC2)OC3=CC=C(OC(F)(F)F)C=C3)CN5C=C(N=C5O4)[N+]([O-])=O

InChI

InChIKey=XDAOLTSRNUSPPH-XMMPIXPASA-N
InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1

HIDE SMILES / InChI
Molecular Formula C25H25F3N4O6
Molecular Weight 534.4844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:10:56 UTC 2023
Edited
by admin
on Fri Dec 15 17:10:56 UTC 2023
Record UNII
8OOT6M1PC7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELAMANID
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
IMIDAZO(2,1-B)OXAZOLE, 2,3-DIHYDRO-2-METHYL-6-NITRO-2-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-, (2R)-
Systematic Name English
OPC67683
Code English
Delamanid [WHO-DD]
Common Name English
OPC-67683
Code English
DELAMANID [MI]
Common Name English
DELAMANID [USAN]
Common Name English
DELAMANID [JAN]
Common Name English
(2R)-2-METHYL-6-NITRO-2-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)PIPERIDIN-1- YL)PHENOXY)METHYL)-2,3-DIHYDROIMIDAZO(2,1-B)OXAZOLE
Systematic Name English
delamanid [INN]
Common Name English
DELTYBA
Brand Name English
(2R)-2-METHYL-6-NITRO-2-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)PIPERIDIN-1-YL)PHENOXY)METHYL)-2,3-DIHYDROIMIDAZO(2,1-B)(1,3)OXAZOLE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 244007
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
EU-Orphan Drug EU/3/07/524
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
WHO-VATC QJ04AK06
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
WHO-ATC J04AK06
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C157406
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
FDA UNII
8OOT6M1PC7
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
USAN
XX-14
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
INN
9401
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
MERCK INDEX
m11734
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
CAS
681492-22-8
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID60218326
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
DRUG BANK
DB11637
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
PUBCHEM
6480466
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL218650
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
SMS_ID
100000127700
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
DRUG CENTRAL
4819
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
WIKIPEDIA
Delamanid
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
JAPANESE REVIEW
DELTYBA
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY APPROVED JULY 2014
EVMPD
SUB33761
Created by admin on Fri Dec 15 17:10:56 UTC 2023 , Edited by admin on Fri Dec 15 17:10:56 UTC 2023
PRIMARY
Related Record Type Details
MYCOBACTERIUM TUBERCULOSIS
TARGET ORGANISM->INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
Structure of (5S)-2-AMINO-4,5-DIHYDRO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4-OXAZOLOL
METABOLITE -> PARENT
PLASMA
Structure of (5R)-4,5-DIHYDRO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-2-OXAZOLAMINE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of (5R)-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-2-OXAZOLIDINONE
METABOLITE -> PARENT
PLASMA
Structure of (4S,5S)-4-HYDROXY-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-2-OXAZOLIDINONE
METABOLITE -> PARENT
PLASMA
Structure of (5S)-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-2,4-OXAZOLIDINEDIONE
METABOLITE -> PARENT
PLASMA
Structure of (5S)-2-AMINO-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-4(5H)-OXAZOLONE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of (4R,5S)-4-HYDROXY-5-METHYL-5-((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)METHYL)-2-OXAZOLIDINONE
METABOLITE -> PARENT
PLASMA
Structure of N-((2R)-2-HYDROXY-2-METHYL-3-(4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENOXY)PROPYL)UREA
METABOLITE -> PARENT
PLASMA
Related Record Type Details
Structure of DELAMANID
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