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

Details

Stereochemistry RACEMIC
Molecular Formula C15H22N2O2
Molecular Weight 262.3474
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENIROLOL

SMILES

CCC(C)(C)NCC(O)COC1=CC=CC=C1C#N

InChI

InChIKey=MMKLQZPUMDLVHF-UHFFFAOYSA-N
InChI=1S/C15H22N2O2/c1-4-15(2,3)17-10-13(18)11-19-14-8-6-5-7-12(14)9-16/h5-8,13,17-18H,4,10-11H2,1-3H3

HIDE SMILES / InChI
Name Type Language
PENIROLOL
INN  
INN  
Official Name English
O-(2-HYDROXY-3-(TERT-PENTYLAMINO)PROPOXY)BENZONITRILE
Common Name English
penirolol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID70866695
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
INN
4069
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
ChEMBL
CHEMBL1742411
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
SMS_ID
100000082502
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
CAS
58503-83-6
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
FDA UNII
BT9Y6D2DR0
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
NCI_THESAURUS
C66339
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
PUBCHEM
3047820
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY
EVMPD
SUB09670MIG
Created by admin on Fri Dec 15 16:26:49 GMT 2023 , Edited by admin on Fri Dec 15 16:26:49 GMT 2023
PRIMARY