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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16FNOS.ClH
Molecular Weight 337.839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLURADOLINE HYDROCHLORIDE

SMILES

Cl.CNCCSC1=CC2=C(OC3=C1C=C(F)C=C3)C=CC=C2

InChI

InChIKey=HIOVQJCJNCRSCC-UHFFFAOYSA-N
InChI=1S/C17H16FNOS.ClH/c1-19-8-9-21-17-10-12-4-2-3-5-15(12)20-16-7-6-13(18)11-14(16)17;/h2-7,10-11,19H,8-9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C17H16FNOS
Molecular Weight 301.378
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:05:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:05:20 UTC 2023
Record UNII
1STM5485LF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLURADOLINE HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
P-76-2494A
Code English
P-762494A
Code English
HP-494
Code English
FLURADOLINE HYDROCHLORIDE [USAN]
Common Name English
Fluradoline hydrochloride [WHO-DD]
Common Name English
FLURADOLINE HCL
Common Name English
2-[(8-Fluorodibenz[b,f]oxepin-10-yl)thio]-N-methylethylamine hydrochloride
Systematic Name English
ETHANAMINE, 2-((8-FLUORODIBENZ(B,F)OXEPIN-10-YL)THIO)-N-METHYL-, HYDROCHLORIDE
Systematic Name English
P 76 2494A
Code English
HP 494
Code English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID90998806
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL357858
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
FDA UNII
1STM5485LF
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
SMS_ID
100000086995
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
PUBCHEM
6917739
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
NCI_THESAURUS
C81378
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
CAS
77590-97-7
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
EVMPD
SUB02237MIG
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
USAN
S-105
Created by admin on Fri Dec 15 15:05:20 UTC 2023 , Edited by admin on Fri Dec 15 15:05:20 UTC 2023
PRIMARY
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