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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19FN2O3
Molecular Weight 342.3642
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEMBRAGILINE

SMILES

CC(=O)N[C@@H]1CN(C(=O)C1)C2=CC=C(OCC3=CC(F)=CC=C3)C=C2

InChI

InChIKey=VMAVCCUQTALHOB-INIZCTEOSA-N
InChI=1S/C19H19FN2O3/c1-13(23)21-16-10-19(24)22(11-16)17-5-7-18(8-6-17)25-12-14-3-2-4-15(20)9-14/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H19FN2O3
Molecular Weight 342.3642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:10:44 UTC 2023
Edited
by admin
on Fri Dec 15 18:10:44 UTC 2023
Record UNII
K3W9672PNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEMBRAGILINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Sembragiline [WHO-DD]
Common Name English
SEMBRAGILINE [USAN]
Common Name English
RG1577
Code English
sembragiline [INN]
Common Name English
RG-1577
Code English
Classification Tree Code System Code
NCI_THESAURUS C667
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
Code System Code Type Description
CAS
676479-06-4
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
USAN
CD-103
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
NCI_THESAURUS
C152331
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
INN
9900
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
CAS
1210947-69-5
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
NO STRUCTURE GIVEN
FDA UNII
K3W9672PNJ
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
PUBCHEM
10246762
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707394
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
SMS_ID
300000034361
Created by admin on Fri Dec 15 18:10:44 UTC 2023 , Edited by admin on Fri Dec 15 18:10:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY