TELCAGEPANT

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H27F5N6O3
Molecular Weight	566.523
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TELCAGEPANT

Structure Search

SMILES

FC1=C(F)C(=CC=C1)[C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)N4C(=O)NC5=C4C=CC=N5)C(=O)N(CC(F)(F)F)C2

InChI

InChIKey=CGDZXLJGHVKVIE-DNVCBOLYSA-N

InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H27F5N6O3
Molecular Weight	566.523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:31:28 UTC 2023` Edited by `admin` on `Fri Dec 15 16:31:28 UTC 2023`
Record UNII	D42O649ALL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TELCAGEPANT

Official Name

English

telcagepant [INN]

Common Name

English

N-((3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXO-1-(2,2,2-TRIFLUOROETHYL)HEXAHYDRO-1H-AZEPIN-3- YL)-4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)PIPERIDINE-1-CARBOXAMIDE

Systematic Name

English

1-PIPERIDINECARBOXAMIDE, N-((3R,6S)-6-(2,3-DIFLUOROPHENYL)HEXAHYDRO-2-OXO-1-(2,2,2- TRIFLUOROETHYL)-1H-AZEPIN-3-YL)-4-(2,3-DIHYDRO-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)-

Systematic Name

English

TELCAGEPANT [MI]

Common Name

English

Telcagepant [WHO-DD]

Common Name

English

TELCAGEPANT [MART.]

Common Name

English

MK-0974

Code

English

MK0974

Code

English

TELCAGEPANT [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID50999410

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

MESH

C525458

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

WIKIPEDIA

TELCAGEPANT

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

FDA UNII

D42O649ALL

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

INN

8991

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

SMS_ID

100000128021

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

CAS

781649-09-0

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

PUBCHEM

11319053

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

USAN

TT-81

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

DRUG BANK

DB12228

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

ChEMBL

CHEMBL236593

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

NCI_THESAURUS

C152545

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

EVMPD

SUB34577

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

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MERCK INDEX

m10529

Created by admin on Fri Dec 15 16:31:28 UTC 2023 , Edited by admin on Fri Dec 15 16:31:28 UTC 2023

PRIMARY

Merck Index

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SALT/SOLVATE -> PARENT

Amount:

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					D42O649ALL

ACTIVE MOIETY

Amount: