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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO6S
Molecular Weight 387.491
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](O)COC1=C(C=C(OS(O)(=O)=O)C=C1)C2CCCC2

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

Approval Year

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 Sat Dec 16 11:13:02 GMT 2023 , Edited by admin on Sat Dec 16 11:13:02 GMT 2023
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CAS
112160-86-8
Created by admin on Sat Dec 16 11:13:02 GMT 2023 , Edited by admin on Sat Dec 16 11:13:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID30920681
Created by admin on Sat Dec 16 11:13:02 GMT 2023 , Edited by admin on Sat Dec 16 11:13:02 GMT 2023
PRIMARY
PUBCHEM
183417
Created by admin on Sat Dec 16 11:13:02 GMT 2023 , Edited by admin on Sat Dec 16 11:13:02 GMT 2023
PRIMARY