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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO3.ClH
Molecular Weight 275.772
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALBUTEROL HYDROCHLORIDE

SMILES

Cl.CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1

InChI

InChIKey=OWNWYCOLFIFTLK-UHFFFAOYSA-N
InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:49:57 UTC 2023
Record UNII
P12862PDAK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALBUTEROL HYDROCHLORIDE
Common Name English
1,3-BENZENEDIMETHANOL, .ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-, HYDROCHLORIDE (±)-SALBUTAMOL HYDROCHLORIDE
Common Name English
SALBUTAMOL HYDROCHLORIDE
Common Name English
1,3-BENZENEDIMETHANOL, .ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-, HYDROCHLORIDE (1:1)
Systematic Name English
DL-SALBUTAMOL HYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80965587
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
PRIMARY
SMS_ID
100000181252
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
PRIMARY
PUBCHEM
6452399
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
PRIMARY
FDA UNII
P12862PDAK
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
PRIMARY
CAS
51293-66-4
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
PRIMARY
CAS
39006-83-2
Created by admin on Sat Dec 16 11:49:57 UTC 2023 , Edited by admin on Sat Dec 16 11:49:57 UTC 2023
SUPERSEDED
Related Record Type Details
PARENT -> SALT/SOLVATE