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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H31NO6S
Molecular Weight 401.518
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARTEMISONE

SMILES

[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N5CCS(=O)(=O)CC5)O4

InChI

InChIKey=FDMUNKXWYMSZIR-NQWKWHCYSA-N
InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H31NO6S
Molecular Weight 401.518
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:26:36 UTC 2023
Edited
by admin
on Fri Dec 15 17:26:36 UTC 2023
Record UNII
796LMW5BUZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARTEMISONE
INN  
INN  
Official Name English
4-((3R,5AS,6R,8AS,9R,10R,12R,12AR)-3,6,9-TRIMETHYLDECAHYDRO-12H-3,12-EPOXYPYRANO(4,3-J)(1,2)BENZODIOXEPIN-10-YL)THIOMORPHOLINE-1,1-DIONE
Common Name English
BAY 44-9585
Code English
BAY-449585
Code English
ARTEMIFONE
Common Name English
artemisone [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 590117
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
NCI_THESAURUS C271
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
Code System Code Type Description
FDA UNII
796LMW5BUZ
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
INN
8344
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID201037214
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
MESH
C514498
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
CAS
255730-18-8
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
SMS_ID
300000034160
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
ChEMBL
CHEMBL516268
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
PUBCHEM
11531457
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
NCI_THESAURUS
C87431
Created by admin on Fri Dec 15 17:26:36 UTC 2023 , Edited by admin on Fri Dec 15 17:26:36 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY