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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15F2N3S.ClH
Molecular Weight 331.812
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPICASTAT HYDROCHLORIDE ANHYDROUS

SMILES

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

InChI

InChIKey=DIPDUAJWNBEVOY-PPHPATTJSA-N
InChI=1S/C14H15F2N3S.ClH/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/t10-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
NEPICASTAT HYDROCHLORIDE ANHYDROUS
Common Name English
2H-IMIDAZOLE-2-THIONE, 5-(AMINOMETHYL)-1-((2S)-5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-1,3-DIHYDRO-, HYDROCHLORIDE (1:1)
Systematic Name English
(S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9840545
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID00168811
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
FDA UNII
3WK068D17I
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
CAS
170151-24-3
Created by admin on Sat Dec 16 05:01:11 UTC 2023 , Edited by admin on Sat Dec 16 05:01:11 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of NEPICASTAT
NIH
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