U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15F2N3S.ClH.H2O
Molecular Weight 349.827
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPICASTAT HYDROCHLORIDE

SMILES

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

InChI

InChIKey=AILBEJJAAWNNIR-XRIOVQLTSA-N
InChI=1S/C14H15F2N3S.ClH.H2O/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);1H;1H2/t10-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
NEPICASTAT HYDROCHLORIDE
USAN  
USAN  
Official Name English
NEPICASTAT HYDROCHLORIDE MONOHYDRATE
Common Name English
2H-IMIDAZOLE-2-THIONE, 5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-1,3-DIHYDRO-, MONOHYDROCHLORIDE, MONOHYDRATE, (S)-
Common Name English
NEPICASTAT HYDROCHLORIDE [USAN]
Common Name English
(S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE MONOHYDROCHLORIDE, MONOHYDRATE
Systematic Name English
5-(Aminomethyl)-1-[(S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl]-4-imidazoline-2-thione monohydrochloride, monohydrate
Systematic Name English
RS-25560-197
Code English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
Code System Code Type Description
MESH
C109487
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
PUBCHEM
11954368
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
ChEMBL
CHEMBL1188395
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID30938968
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
CAS
177645-08-8
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
FDA UNII
VJ9868NW5X
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
NCI_THESAURUS
C84004
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
CHEBI
139334
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
USAN
II-85
Created by admin on Fri Dec 15 16:28:03 UTC 2023 , Edited by admin on Fri Dec 15 16:28:03 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of NEPICASTAT
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966