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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO6S
Molecular Weight 387.4927
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPENBUTOLOL-4-SULFATE

SMILES

CC(C)(C)NC[C@@]([H])(COc1ccc(cc1C2CCCC2)OS(=O)(=O)O)O

InChI

InChIKey=YGAFVZDVNJYOCT-AWEZNQCLSA-N
InChI=1S/C18H29NO6S/c1-18(2,3)19-11-14(20)12-24-17-9-8-15(25-26(21,22)23)10-16(17)13-6-4-5-7-13/h8-10,13-14,19-20H,4-7,11-12H2,1-3H3,(H,21,22,23)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H29NO6S
Molecular Weight 387.4927
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 Fri Jun 25 23:34:45 UTC 2021
Edited
by admin
on Fri Jun 25 23:34:45 UTC 2021
Record UNII
4F86S26759
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPENBUTOLOL-4-SULFATE
Common Name English
4'-HYDROXYPENBUTOLOL-4'-SULFATE
Systematic Name English
PHENOL, 3-CYCLOPENTYL-4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, 1-(HYDROGEN SULFATE), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4F86S26759
Created by admin on Fri Jun 25 23:34:45 UTC 2021 , Edited by admin on Fri Jun 25 23:34:45 UTC 2021
PRIMARY
CAS
112160-86-8
Created by admin on Fri Jun 25 23:34:45 UTC 2021 , Edited by admin on Fri Jun 25 23:34:45 UTC 2021
PRIMARY
PUBCHEM
183417
Created by admin on Fri Jun 25 23:34:45 UTC 2021 , Edited by admin on Fri Jun 25 23:34:45 UTC 2021
PRIMARY
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