RO-0681133

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H30F6N4O
Molecular Weight	564.5651
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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=CC=CC=C3C)N4CCNCC4

InChI

InChIKey=SRVSDBHUBFLSFE-UHFFFAOYSA-N

InChI=1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,36H,9-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C29H30F6N4O
Molecular Weight	564.5651
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 23:06:41 GMT 2025` Edited by `admin` on `Tue Apr 01 23:06:41 GMT 2025`
Record UNII	B4FE9RD2SF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL NETUPITANT

Preferred Name

English

RO-0681133

Code

English

NETUPITANT METABOLITE N-DESMETHYL NETUPITANT

Common Name

English

NETUPITANT METABOLITE M1

Systematic Name

English

Code System Code Type Description

PUBCHEM

9915918

Created by admin on Tue Apr 01 23:06:41 GMT 2025 , Edited by admin on Tue Apr 01 23:06:41 GMT 2025

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CAS

290296-72-9

Created by admin on Tue Apr 01 23:06:41 GMT 2025 , Edited by admin on Tue Apr 01 23:06:41 GMT 2025

PRIMARY

FDA UNII

B4FE9RD2SF

Created by admin on Tue Apr 01 23:06:41 GMT 2025 , Edited by admin on Tue Apr 01 23:06:41 GMT 2025

PRIMARY

Related Record Type Details


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