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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO3
Molecular Weight 293.4012
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACT-001

SMILES

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

InChI

InChIKey=ZPBIJIIQXPRJSS-WNZSCWOMSA-N
InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/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

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
580BNQ45EO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACT-001
Code English
AZULENO(4,5-B)FURAN-2(3H)-ONE, 3-((DIMETHYLAMINO)METHYL)-3A,4,5,7,8,9,9A,9B-OCTAHYDRO-9-HYDROXY-6,9-DIMETHYL-, (3R,3AS,9R,9AS,9BS)-
Systematic Name English
ACT001
Code English
11.BETA.,13-DIHYDRO-13-(DIMETHYLAMINO)MICHELIOLIDE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 842721
Created by admin on Sat Dec 16 13:42:43 GMT 2023 , Edited by admin on Sat Dec 16 13:42:43 GMT 2023
EU-Orphan Drug EU/3/18/2055
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
NCI_THESAURUS
C182143
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
580BNQ45EO
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
SMS_ID
300000010621
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
52939461
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
1403357-81-2
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
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY