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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H23F6N3O3
Molecular Weight 515.4481
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TELMAPITANT

SMILES

C[C@@H](OC[C@]1(CC[C@]2(CN1)NC(=O)NC2=O)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=NWZTURJOOOFKAS-KHIBUBOWSA-N
InChI=1S/C24H23F6N3O3/c1-14(15-9-17(23(25,26)27)11-18(10-15)24(28,29)30)36-13-22(16-5-3-2-4-6-16)8-7-21(12-31-22)19(34)32-20(35)33-21/h2-6,9-11,14,31H,7-8,12-13H2,1H3,(H2,32,33,34,35)/t14-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H23F6N3O3
Molecular Weight 515.4481
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:53:46 UTC 2023
Edited
by admin
on Sat Dec 16 05:53:46 UTC 2023
Record UNII
HJ5FE4153B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TELMAPITANT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Telmapitant [WHO-DD]
Common Name English
telmapitant [INN]
Common Name English
1,3,7-TRIAZASPIRO(4.5)DECANE-2,4-DIONE, 8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-, (5R,8S)-
Systematic Name English
(5R,8S)-8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-1,3,7- TRIAZASPIRO(4.5)DECANE-2,4-DIONE
Systematic Name English
TELMAPITANT [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C267
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
Code System Code Type Description
CAS
552292-58-7
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID50203741
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL2374165
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
PUBCHEM
10128485
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
NCI_THESAURUS
C152548
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
USAN
ZZ-40
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
INN
9667
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
SMS_ID
300000036924
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
FDA UNII
HJ5FE4153B
Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY