RO-48-6791

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H25FN6O2
Molecular Weight	412.4606
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RO-48-6791

Structure Search

SMILES

CCCN(CCC)CC1=NC(=NO1)C2=C3CN(C)C(=O)C4=CC(F)=CC=C4N3C=N2

InChI

InChIKey=NOQIYRGMEFBZTI-UHFFFAOYSA-N

InChI=1S/C21H25FN6O2/c1-4-8-27(9-5-2)12-18-24-20(25-30-18)19-17-11-26(3)21(29)15-10-14(22)6-7-16(15)28(17)13-23-19/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C21H25FN6O2
Molecular Weight	412.4606
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 `Mon Mar 31 18:07:42 GMT 2025` Edited by `admin` on `Mon Mar 31 18:07:42 GMT 2025`
Record UNII	NKE9773PBB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RO-48-6791

Code

English

3-(5-DIPROPYLAMINOMETHYL-(1,2,4)OXADIAZOL-3-YL)-8-FLUORO-5-METHYL-5,6-DIHYDRO-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-6-ONE

Preferred Name

English

6H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-6-ONE, 3-(5-((DIPROPYLAMINO)METHYL)-1,2,4-OXADIAZOL-3-YL)-8-FLUORO-4,5-DIHYDRO-5-METHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10938143

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

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CAS

172407-17-9

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

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SMS_ID

300000040308

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

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PUBCHEM

9953485

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

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WIKIPEDIA

Ro48-6791

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

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FDA UNII

NKE9773PBB

Created by admin on Mon Mar 31 18:07:42 GMT 2025 , Edited by admin on Mon Mar 31 18:07:42 GMT 2025

PRIMARY