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Details

Stereochemistry RACEMIC
Molecular Formula C13H21N3O3
Molecular Weight 267.3241
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBUTEROL

SMILES

CC(C)(C)NCC(O)C1=CC(NC(N)=O)=C(O)C=C1

InChI

InChIKey=KEMXXQOFIRIICG-UHFFFAOYSA-N
InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)

HIDE SMILES / InChI

Molecular Formula C13H21N3O3
Molecular Weight 267.3241
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:09:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:09:15 UTC 2023
Record UNII
0N12JR32MR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBUTEROL
INN   MI   WHO-DD  
INN  
Official Name English
carbuterol [INN]
Common Name English
CARBUTEROL [MI]
Common Name English
(5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)UREA
Systematic Name English
UREA, (5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)-
Systematic Name English
Carbuterol [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-VATC QR03CC10
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
WHO-ATC R03AC10
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
WHO-ATC R03CC10
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
WHO-VATC QR03AC10
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
252-257-5
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
SMS_ID
100000084570
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
DRUG CENTRAL
506
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
DRUG BANK
DB13625
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
EVMPD
SUB06621MIG
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
MERCK INDEX
m3102
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2110780
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
INN
3360
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
NCI_THESAURUS
C79709
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
MESH
C100249
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
PUBCHEM
36976
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
FDA UNII
0N12JR32MR
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
CAS
34866-47-2
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID00865737
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
WIKIPEDIA
CARBUTEROL
Created by admin on Fri Dec 15 16:09:15 UTC 2023 , Edited by admin on Fri Dec 15 16:09:15 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY