ALBUTEROL-4-SULFATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H21NO6S
Molecular Weight	319.374
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)NC[C@@H](O)C1=CC=C(OS(O)(=O)=O)C(CO)=C1

InChI

InChIKey=FPMLHYFHLRTRMB-LLVKDONJSA-N

InChI=1S/C13H21NO6S/c1-13(2,3)14-7-11(16)9-4-5-12(10(6-9)8-15)20-21(17,18)19/h4-6,11,14-16H,7-8H2,1-3H3,(H,17,18,19)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H21NO6S
Molecular Weight	319.374
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 `Sat Dec 16 10:09:42 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:42 GMT 2023`
Record UNII	EO86K90G5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBUTEROL-4-SULFATE, (S)-

Common Name

English

SALBUTAMOL 4-O-SULFATE, (S)-

Common Name

English

1,3-BENZENEDIMETHANOL, .ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-(SULFOOXY)-, (.ALPHA.1S)-

Systematic Name

English

ALBUTEROL-4-O-SULFATE, (S)-

Common Name

English

Code System Code Type Description

PUBCHEM

29971169

Created by admin on Sat Dec 16 10:09:42 GMT 2023 , Edited by admin on Sat Dec 16 10:09:42 GMT 2023

PRIMARY

CAS

146698-86-4

Created by admin on Sat Dec 16 10:09:42 GMT 2023 , Edited by admin on Sat Dec 16 10:09:42 GMT 2023

PRIMARY

FDA UNII

EO86K90G5U

Created by admin on Sat Dec 16 10:09:42 GMT 2023 , Edited by admin on Sat Dec 16 10:09:42 GMT 2023

PRIMARY

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ALBUTEROL-4-SULFATE, (±)-

RACEMATE -> ENANTIOMER

Related Record Type Details


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Albuterol, S-Enantiomer

PARENT -> METABOLITE

Amount:


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ALBUTEROL

PARENT -> METABOLITE INACTIVE

Comments:

catalysed almost exclusively by sulphotransferase (SULT) 1A3

Amount: