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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO3.C4H4O4
Molecular Weight 409.4733
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACT-001 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.[H][C@@]12CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)[C@H]2CN(C)C

InChI

InChIKey=PDWGVXJIDIRQME-DCNFBYMVSA-N
InChI=1S/C17H27NO3.C4H4O4/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20;5-3(6)1-2-4(7)8/h12-15,20H,5-9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,13-,14-,15-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H27NO3
Molecular Weight 293.4012
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:42:43 GMT 2023
Edited
by admin
on Sat Dec 16 13:42:43 GMT 2023
Record UNII
KM6239D2QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACT-001 FUMARATE
Code English
Dimethylaminomicheliolide Fumarate
Common Name English
(3R,3AS,9R,9AS,9BS)-3-((DIMETHYLAMINO)METHYL)-9-HYDROXY-6,9-DIMETHYL-3,3A,4,5,7,8,9,9A-OCTAHYDROAZULENO(4,5-B)FURAN-2(9BH)-ONE FUMARATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 610217
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
Code System Code Type Description
SMS_ID
300000010620
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
PRIMARY
PUBCHEM
71812122
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
PRIMARY
FDA UNII
KM6239D2QV
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
PRIMARY
CAS
1582289-91-5
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE