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Details

Stereochemistry ACHIRAL
Molecular Formula C28H39NO5.CH4O3S
Molecular Weight 565.719
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARTEFENOMEL MESYLATE

SMILES

CS(O)(=O)=O.C(CN1CCOCC1)OC2=CC=C(C=C2)[C@H]3CC[C@]4(CC3)OOC5(O4)C6CC7CC(C6)CC5C7

InChI

InChIKey=WQAWGRIICHFPFL-ULBNONRQSA-N
InChI=1S/C28H39NO5.CH4O3S/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20;1-5(2,3)4/h1-4,20-21,23-25H,5-19H2;1H3,(H,2,3,4)/t20?,21?,23-,24?,25?,27+,28?;

HIDE SMILES / InChI

Molecular Formula C28H39NO5
Molecular Weight 469.613
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
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 Sat Dec 16 02:49:06 UTC 2023
Edited
by admin
on Sat Dec 16 02:49:06 UTC 2023
Record UNII
PXW0Q9H3IJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARTEFENOMEL MESYLATE
Common Name English
OZ439 MESYLATE
Common Name English
CIS-ADAMANTANE-2-SPIRO-3'-8'-(4'-(2'-(4'-MORPHOLINYL)ETHOXY)PHENYL)-1',2,'4'-TRIOXASPIRO(4.5)DECANE MESYLATE
Common Name English
CIS-ADAMANTANE-2-SPIRO-3'-8'-(4'-(2'-(4'-MORPHOLINYL)ETHOXY)PHENYL)-1',2,'4'-TRIOXASPIRO(4.5) DECANE MESYLATE
Systematic Name English
OZ-439 MESYLATE
Common Name English
MORPHOLINE, 4-(2-(4-CIS-DISPIRO(CYCLOHEXANE-1,3'-(1,2,4)TRIOXOLANE-5',2''-TRICYCLO(3.3.1.1(SUP 3,7))DECAN)-4-YLPHENOXY)ETHYL)-, METHANESULFONATE (1:1)
Common Name English
OZ-439 MESILATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 297309
Created by admin on Sat Dec 16 02:49:07 UTC 2023 , Edited by admin on Sat Dec 16 02:49:07 UTC 2023
Code System Code Type Description
CAS
1029939-87-4
Created by admin on Sat Dec 16 02:49:06 UTC 2023 , Edited by admin on Sat Dec 16 02:49:06 UTC 2023
PRIMARY
FDA UNII
PXW0Q9H3IJ
Created by admin on Sat Dec 16 02:49:07 UTC 2023 , Edited by admin on Sat Dec 16 02:49:07 UTC 2023
PRIMARY
PUBCHEM
25256739
Created by admin on Sat Dec 16 02:49:07 UTC 2023 , Edited by admin on Sat Dec 16 02:49:07 UTC 2023
PRIMARY
DRUG BANK
DBSALT002081
Created by admin on Sat Dec 16 02:49:07 UTC 2023 , Edited by admin on Sat Dec 16 02:49:07 UTC 2023
PRIMARY
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ACTIVE MOIETY