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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO2
Molecular Weight 325.4446
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SR-59230A FREE BASE

SMILES

CCC1=C(OC[C@@H](O)CN[C@H]2CCCC3=C2C=CC=C3)C=CC=C1

InChI

InChIKey=VFDHMSXXELYMRW-ICSRJNTNSA-N
InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3/t18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27NO2
Molecular Weight 325.4446
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:15:02 UTC 2023
Edited
by admin
on Sat Dec 16 08:15:02 UTC 2023
Record UNII
YZ574930OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SR-59230A FREE BASE
Common Name English
SR 59230A - PARENT
Common Name English
2-PROPANOL, 1-(2-ETHYLPHENOXY)-3-((1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)AMINO)-, (S-(R*,R*))-
Systematic Name English
SR-59230A FREE BASE, (-)-
Common Name English
Code System Code Type Description
PUBCHEM
5311452
Created by admin on Sat Dec 16 08:15:02 UTC 2023 , Edited by admin on Sat Dec 16 08:15:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID6043884
Created by admin on Sat Dec 16 08:15:02 UTC 2023 , Edited by admin on Sat Dec 16 08:15:02 UTC 2023
PRIMARY
FDA UNII
YZ574930OD
Created by admin on Sat Dec 16 08:15:02 UTC 2023 , Edited by admin on Sat Dec 16 08:15:02 UTC 2023
PRIMARY
CAS
174689-38-4
Created by admin on Sat Dec 16 08:15:02 UTC 2023 , Edited by admin on Sat Dec 16 08:15:02 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT