POBILUKAST EDAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34O5S.C2H8N2.H2O
Molecular Weight	536.724
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.NCCN.O[C@H]([C@H](SCCC(O)=O)C1=C(CCCCCCCCC2=CC=CC=C2)C=CC=C1)C(O)=O

InChI

InChIKey=DIUCVZXIHDZZBV-LBDKHHEASA-N

InChI=1S/C26H34O5S.C2H8N2.H2O/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;3-1-2-4;/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);1-4H2;1H2/t24-,25-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C26H34O5S
Molecular Weight	458.61
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H8N2
Molecular Weight	60.0983
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 `Fri Dec 15 17:52:23 UTC 2023` Edited by `admin` on `Fri Dec 15 17:52:23 UTC 2023`
Record UNII	8270528Z3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POBILUKAST EDAMINE

Official Name

English

Pobilukast edamine monohydrate [WHO-DD]

Common Name

English

SK&F 104353-Q

Code

English

SK&F-104353-Q

Code

English

BENZENEPROPANOIC ACID, .BETA.-((2-CARBOXYETHYL)THIO)-.ALPHA.-HYDROXY-2-(8-PHENYLOCTYL)-, COMPD. WITH 1,2-ETHANEDIAMINE, HYDRATE (1:1:1), (.ALPHA.S,.BETA.R)-

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-((2-CARBOXYETHYL)THIO)-.ALPHA.-HYDROXY-2-(8-PHENYLOCTYL)-, (R-(R*,S*))-, COMPD. WITH 1,2-ETHANEDIAMINE (1:1), MONOHYDRATE

Common Name

English

(2S,3R)-3-[(2-Carboxyethyl)thio]-3-[O-(8-phenyloctyl)phenyl]lactic acid, compound with ethylenediamine (1:1), monohydrate

Common Name

English

POBILUKAST EDAMINE MONOHYDRATE

Common Name

English

POBILUKAST EDAMINE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712