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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15F2N3S
Molecular Weight 295.351
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPICASTAT

SMILES

NCC1=CNC(=S)N1[C@H]2CCC3=C(C2)C=C(F)C=C3F

InChI

InChIKey=YZZVIKDAOTXDEB-JTQLQIEISA-N
InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1

HIDE SMILES / InChI
Molecular Formula C14H15F2N3S
Molecular Weight 295.351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:21:58 UTC 2023
Edited
by admin
on Sat Dec 16 17:21:58 UTC 2023
Record UNII
VPG12K4540
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEPICASTAT
INN  
INN  
Official Name English
SYN-117
Code English
5-(AMINOMETHYL)-1-((S)-5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHYL)-4-IMIDAZOLINE-2-THIONE
Systematic Name English
SYN117
Code English
nepicastat [INN]
Common Name English
(S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
Code System Code Type Description
CAS
173997-05-2
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID80169740
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
MESH
C109487
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
DRUG BANK
DB12979
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
FDA UNII
VPG12K4540
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
SMS_ID
100000084174
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
CHEBI
139334
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
NCI_THESAURUS
C84003
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL1188395
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
INN
7691
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
PUBCHEM
9796181
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
WIKIPEDIA
NEPICASTAT
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
EVMPD
SUB09199MIG
Created by admin on Sat Dec 16 17:21:59 UTC 2023 , Edited by admin on Sat Dec 16 17:21:59 UTC 2023
PRIMARY
Related Record Type Details
Structure of NEPICASTAT HYDROCHLORIDE
SALT/SOLVATE -> PARENT
DOPAMINE BETA-HYDROXYLASE, SOLUBLE
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of NEPICASTAT
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