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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29Cl2N3O2
Molecular Weight 426.38
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PICUMETEROL

SMILES

NC1=C(Cl)C=C(C=C1Cl)[C@@H](O)CNCCCCCCOCCC2=NC=CC=C2

InChI

InChIKey=NUBLQEKABJXICM-FQEVSTJZSA-N
InChI=1S/C21H29Cl2N3O2/c22-18-13-16(14-19(23)21(18)24)20(27)15-25-9-4-1-2-6-11-28-12-8-17-7-3-5-10-26-17/h3,5,7,10,13-14,20,25,27H,1-2,4,6,8-9,11-12,15,24H2/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H29Cl2N3O2
Molecular Weight 426.38
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 Dec 15 16:36:43 UTC 2023
Edited
by admin
on Fri Dec 15 16:36:43 UTC 2023
Record UNII
86WEQ311WF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PICUMETEROL
INN  
INN  
Official Name English
GR-114297X (PICUMETEROL)
Code English
GR-114297X
Code English
BENZENEMETHANOL, 4-AMINO-3,5-DICHLORO-.ALPHA.-(((6-(2-(2-PYRIDINYL)ETHOXY)HEXYL)AMINO)METHYL)-, (R)-
Systematic Name English
(-)-(R)-4-AMINO-3,5-DICHLORO-.ALPHA.-(((6-(2-(2-PYRIDYL)ETHOXY)HEXYL)AMINO)METHYL)BENZYL ALCOHOL
Systematic Name English
GR 114297X
Code English
picumeterol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
Code System Code Type Description
INN
6726
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
NCI_THESAURUS
C76543
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
CAS
130641-36-0
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110947
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID20156659
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
FDA UNII
86WEQ311WF
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
EVMPD
SUB09822MIG
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
MESH
C097635
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
PUBCHEM
131251
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
SMS_ID
100000081923
Created by admin on Fri Dec 15 16:36:43 UTC 2023 , Edited by admin on Fri Dec 15 16:36:43 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY