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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15F2NO2
Molecular Weight 243.2498
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MANIFAXINE

SMILES

C[C@@H]1CO[C@](O)([C@H](C)N1)C2=CC(F)=CC(F)=C2

InChI

InChIKey=OZGPVYJHWWPEFT-RGNHYFCHSA-N
InChI=1S/C12H15F2NO2/c1-7-6-17-12(16,8(2)15-7)9-3-10(13)5-11(14)4-9/h3-5,7-8,15-16H,6H2,1-2H3/t7-,8+,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H15F2NO2
Molecular Weight 243.2498
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:54:57 UTC 2023
Edited
by admin
on Sat Dec 16 16:54:57 UTC 2023
Record UNII
J8IE53G2IV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MANIFAXINE
INN  
INN  
Official Name English
(2S,3S,5R)-2-(3,5-DIFLUOROPHENYL)-3,5-DIMETHYLMORPHOLIN-2-OL
Systematic Name English
manifaxine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29747
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
NCI_THESAURUS C66884
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60928953
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
NCI_THESAURUS
C81329
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
INN
8088
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
SMS_ID
300000037021
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
FDA UNII
J8IE53G2IV
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
CAS
135306-39-7
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106783
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
WIKIPEDIA
MANIFAXINE
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
PUBCHEM
60829
Created by admin on Sat Dec 16 16:54:57 UTC 2023 , Edited by admin on Sat Dec 16 16:54:57 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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