VOFOPITANT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23F3N6O
Molecular Weight	432.4421
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VOFOPITANT

Structure Search

SMILES

COC1=CC=C(C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)N4N=NN=C4C(F)(F)F

InChI

InChIKey=XILNRORTJVDYRH-HKUYNNGSSA-N

InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23F3N6O
Molecular Weight	432.4421
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 16:26:38 UTC 2023` Edited by `admin` on `Fri Dec 15 16:26:38 UTC 2023`
Record UNII	K08BK043YS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VOFOPITANT

Official Name

English

3-PIPERIDINAMINE, N-((2-METHOXY-5-(5-(TRIFLUORO-METHYL)-1H-TETRAZOL-1-YL)PHENYL)METHYL)-2-PHENYL-

Systematic Name

English

Vofopitant [WHO-DD]

Common Name

English

vofopitant [INN]

Common Name

English

GR-205171

Code

English

GR205171

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C267

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

Code System Code Type Description

DRUG BANK

DB12436

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

PRIMARY

FDA UNII

K08BK043YS

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

PRIMARY

CAS

168266-90-8

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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ChEMBL

CHEMBL522302

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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PUBCHEM

6918331

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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NCI_THESAURUS

C72949

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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EVMPD

SUB05124MIG

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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WIKIPEDIA

Vofopitant

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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SMS_ID

100000087885

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID10870099

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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INN

7942

Created by admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023

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					6OU487748Q

SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Amount:


					53187BIJ00

VOFOPITANT DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT


					XWN7G45JKF

VOFOPITANT C-11

LABELED -> NON-LABELED

Amount:

Related Record Type Details


					K08BK043YS

ACTIVE MOIETY