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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO3
Molecular Weight 307.4284
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPENBUTOLOL

SMILES

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

InChI

InChIKey=PYXBIIXXYVBVLU-HNNXBMFYSA-N
InChI=1S/C18H29NO3/c1-18(2,3)19-11-15(21)12-22-17-9-8-14(20)10-16(17)13-6-4-5-7-13/h8-10,13,15,19-21H,4-7,11-12H2,1-3H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H29NO3
Molecular Weight 307.4284
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 Jun 26 05:18:07 UTC 2021
Edited
by admin
on Sat Jun 26 05:18:07 UTC 2021
Record UNII
MSV4Q3G0OA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPENBUTOLOL
Common Name English
4'-HYDROXYPENBUTOLOL
Systematic Name English
PHENOL, 3-CYCLOPENTYL-4-((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-
Systematic Name English
3-CYCLOPENTYL-4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENOL, (S)-
Systematic Name English
Code System Code Type Description
CAS
81542-82-7
Created by admin on Sat Jun 26 05:18:07 UTC 2021 , Edited by admin on Sat Jun 26 05:18:07 UTC 2021
PRIMARY
FDA UNII
MSV4Q3G0OA
Created by admin on Sat Jun 26 05:18:07 UTC 2021 , Edited by admin on Sat Jun 26 05:18:07 UTC 2021
PRIMARY
PUBCHEM
133713
Created by admin on Sat Jun 26 05:18:07 UTC 2021 , Edited by admin on Sat Jun 26 05:18:07 UTC 2021
PRIMARY
Related Record Type Details
CONJUGATE -> PARENT
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PARENT -> METABOLITE