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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26N2O5
Molecular Weight 422.4736
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYCARVEDILOL, (S)-

SMILES

COC1=C(OCCNC[C@H](O)COC2=CC=CC3=C2C4=C(N3)C=CC=C4)C=C(O)C=C1

InChI

InChIKey=PVUVZUBTCLBJMT-KRWDZBQOSA-N
InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26N2O5
Molecular Weight 422.4736
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:13:07 UTC 2023
Edited
by admin
on Sat Dec 16 09:13:07 UTC 2023
Record UNII
8H8Z0G7RMW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXYCARVEDILOL, (S)-
Common Name English
5'-HYDROXYCARVEDILOL, (S)-
Common Name English
(S)-5-HYDROXYCARVEDILOL
Common Name English
PHENOL, 3-(2-(((2S)-3-(9H-CARBAZOL-4-YLOXY)-2-HYDROXYPROPYL)AMINO)ETHOXY)-4-METHOXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20654201
Created by admin on Sat Dec 16 09:13:07 UTC 2023 , Edited by admin on Sat Dec 16 09:13:07 UTC 2023
PRIMARY
CAS
1217723-80-2
Created by admin on Sat Dec 16 09:13:07 UTC 2023 , Edited by admin on Sat Dec 16 09:13:07 UTC 2023
PRIMARY
FDA UNII
8H8Z0G7RMW
Created by admin on Sat Dec 16 09:13:07 UTC 2023 , Edited by admin on Sat Dec 16 09:13:07 UTC 2023
PRIMARY
PUBCHEM
40425353
Created by admin on Sat Dec 16 09:13:07 UTC 2023 , Edited by admin on Sat Dec 16 09:13:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE