ALBUTEROL ADIPATE DIETHANOLATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H21NO3.C6H10O4.2C2H6O
Molecular Weight	477.5888
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALBUTEROL ADIPATE DIETHANOLATE

Structure Search

SMILES

CCO.CCO.OC(=O)CCCCC(O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1

InChI

InChIKey=IOIVZFGXQDBEKZ-UHFFFAOYSA-N

InChI=1S/C13H21NO3.C6H10O4.2C2H6O/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;7-5(8)3-1-2-4-6(9)10;2*1-2-3/h4-6,12,14-17H,7-8H2,1-3H3;1-4H2,(H,7,8)(H,9,10);2*3H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H10O4
Molecular Weight	146.1412
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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	C2H6O
Molecular Weight	46.0684
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 08:23:53 UTC 2023` Edited by `admin` on `Sat Dec 16 08:23:53 UTC 2023`
Record UNII	289U58VGDE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBUTEROL ADIPATE DIETHANOLATE

Common Name

English

HEXANEDIOIC ACID, COMPD. WITH .ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-1,3-BENZENEDIMETHANOL AND ETHANOL (1:1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

289U58VGDE

Created by admin on Sat Dec 16 08:23:53 UTC 2023 , Edited by admin on Sat Dec 16 08:23:53 UTC 2023

PRIMARY

CAS

177985-44-3

Created by admin on Sat Dec 16 08:23:53 UTC 2023 , Edited by admin on Sat Dec 16 08:23:53 UTC 2023

PRIMARY

PUBCHEM

177325

Created by admin on Sat Dec 16 08:23:53 UTC 2023 , Edited by admin on Sat Dec 16 08:23:53 UTC 2023

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