FOSNETUPITANT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H35F6N4O5P
Molecular Weight	688.5976
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FOSNETUPITANT

Structure Search

SMILES

CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=C(C)C=CC=C3)N4CC[N+](C)(COP(O)([O-])=O)CC4

InChI

InChIKey=HZIYEEMJNBKMJH-UHFFFAOYSA-N

InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)

HIDE SMILES / InChI

Molecular Formula	C31H35F6N4O5P
Molecular Weight	688.5976
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:15:36 UTC 2023` Edited by `admin` on `Sat Dec 16 11:15:36 UTC 2023`
Record UNII	T672P80L2S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FOSNETUPITANT

Official Name

English

fosnetupitant [INN]

Common Name

English

Fosnetupitant [WHO-DD]

Common Name

English

07-PNET

Code

English

FOSNETUPITANT [USAN]

Common Name

English

PIPERAZINIUM, 4-(5-((2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYL-1-OXOPROPYL)METHYLAMINO)-4-(2-METHYLPHENYL)-2-PYRIDINYL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)-

Systematic Name

English

PIPERAZINIUM, 4-(5-((2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYL-1-OXOPROPYL)METHYLAMINO)-4-(2-METHYLPHENYL)-2-PYRIDINYL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)-, INNER SALT

Systematic Name

English

Code System Code Type Description

DRUG CENTRAL

5283

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

NCI_THESAURUS

C170011

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

CAS

1703748-89-3

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

INN

10146

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

EPA CompTox

DTXSID601027641

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

DRUG BANK

DB14019

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

RXCUI

2044417

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

SMS_ID

100000176234

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

PUBCHEM

71544786

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

FDA UNII

T672P80L2S

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

DAILYMED

T672P80L2S

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

CAS

1431216-59-9

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

ALTERNATIVE

USAN

EF-24

Created by admin on Sat Dec 16 11:15:36 UTC 2023 , Edited by admin on Sat Dec 16 11:15:36 UTC 2023

PRIMARY

Related Record Type Details


					ZR36MFA9P8

FOSNETUPITANT CHLORIDE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					7732P08TIR

METABOLITE ACTIVE -> PRODRUG

Amount:

Related Record Type Details


					7732P08TIR

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				INJECTION ADMINISTRATION

Tmax	PHARMACOKINETIC				INJECTION ADMINISTRATION