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

Details

Stereochemistry EPIMERIC
Molecular Formula C13H18O5
Molecular Weight 254.279
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NADOLOL ALCOHOL

SMILES

OCC(O)COC1=C2C[C@H](O)[C@H](O)CC2=CC=C1

InChI

InChIKey=DZALRMMUMGVECL-QZNDUUOJSA-N
InChI=1S/C13H18O5/c14-6-9(15)7-18-13-3-1-2-8-4-11(16)12(17)5-10(8)13/h1-3,9,11-12,14-17H,4-7H2/t9?,11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18O5
Molecular Weight 254.279
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:10 UTC 2023
Edited
by admin
on Sat Dec 16 11:16:10 UTC 2023
Record UNII
UT1UCQ78GF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NADOLOL ALCOHOL
Common Name English
(2RS,3SR)-5-(2,3-DIHYDROXYPROPOXY)-1,2,3,4-TETRAHYDRONAPHTHALENE-2,3-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
165411911
Created by admin on Sat Dec 16 11:16:10 UTC 2023 , Edited by admin on Sat Dec 16 11:16:10 UTC 2023
PRIMARY
FDA UNII
UT1UCQ78GF
Created by admin on Sat Dec 16 11:16:10 UTC 2023 , Edited by admin on Sat Dec 16 11:16:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY