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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30N2O3
Molecular Weight 370.4852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAVASAICIN

SMILES

COC1=CC(CC(=O)NCCCC2=CC=C(C)C(C)=C2)=CC=C1OCCN

InChI

InChIKey=VVMIHZHLNJMAQP-UHFFFAOYSA-N
InChI=1S/C22H30N2O3/c1-16-6-7-18(13-17(16)2)5-4-11-24-22(25)15-19-8-9-20(27-12-10-23)21(14-19)26-3/h6-9,13-14H,4-5,10-12,15,23H2,1-3H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H30N2O3
Molecular Weight 370.4852
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 18:02:04 UTC 2023
Edited
by admin
on Sat Dec 16 18:02:04 UTC 2023
Record UNII
8V3419G4NR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAVASAICIN
INN  
INN  
Official Name English
DA-5018 FREE BASE
Code English
2-(4-(2-AMINOETHOXY)-3-METHOXYPHENYL)-N-(3-(3,4-DIMETHYLPHENYL)PROPYL)ACETAMIDE
Systematic Name English
davasaicin [INN]
Common Name English
KR-25018
Code English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
Code System Code Type Description
INN
8550
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID40163729
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
PUBCHEM
177287
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
FDA UNII
8V3419G4NR
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
NCI_THESAURUS
C83652
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
SMS_ID
300000034166
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
CAS
147497-64-1
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL328628
Created by admin on Sat Dec 16 18:02:05 UTC 2023 , Edited by admin on Sat Dec 16 18:02:05 UTC 2023
PRIMARY
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