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Details

Stereochemistry MIXED
Molecular Formula C21H31NO2
Molecular Weight 329.4763
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRONEPIDIL

SMILES

CC(C)COCC(COC(C)(C#C)C1=CC=CC=C1)N2CCCC2

InChI

InChIKey=BFXRCMJRKTUNIQ-UHFFFAOYSA-N
InChI=1S/C21H31NO2/c1-5-21(4,19-11-7-6-8-12-19)24-17-20(16-23-15-18(2)3)22-13-9-10-14-22/h1,6-8,11-12,18,20H,9-10,13-17H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C21H31NO2
Molecular Weight 329.4763
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:30 UTC 2023
Edited
by admin
on Fri Dec 15 16:33:30 UTC 2023
Record UNII
94JPL25DUK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRONEPIDIL
INN  
INN  
Official Name English
1-(1-(ISOBUTOXYMETHYL)-2-((1-METHYL-1-PHENYL-2-PROPYNYL)OXY)ETHYL)PYRROLIDINE
Systematic Name English
fronepidil [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
Code System Code Type Description
INN
6135
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
PUBCHEM
219076
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
CAS
79700-63-3
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
EVMPD
SUB07816MIG
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
NCI_THESAURUS
C65771
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
FDA UNII
94JPL25DUK
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105065
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
SMS_ID
100000080467
Created by admin on Fri Dec 15 16:33:30 UTC 2023 , Edited by admin on Fri Dec 15 16:33:30 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY