L-649923 SODIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H31O6S.Na
Molecular Weight	482.565
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCC1=C(OCCCSC2=CC=C(C=C2)[C@H](O)[C@@H](C)CC([O-])=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=HYMFDMFIXDCBBD-HCGKRMLVSA-M

InChI=1S/C25H32O6S.Na/c1-4-6-21-22(12-11-20(17(3)26)25(21)30)31-13-5-14-32-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28;/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28);/q;+1/p-1/t16-,24+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C25H31O6S
Molecular Weight	459.575
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 `Mon Mar 31 22:13:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:13:48 GMT 2025`
Record UNII	HB5369FC39
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENEBUTANOIC ACID, 4-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-.GAMMA.-HYDROXY-.BETA.-METHYL-, MONOSODIUM SALT, (R*,S*)-

Preferred Name

English

L-649923 SODIUM

Common Name

English

Code System Code Type Description

CAS

91541-81-0

Created by admin on Mon Mar 31 22:13:48 GMT 2025 , Edited by admin on Mon Mar 31 22:13:48 GMT 2025

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PUBCHEM

102056003

Created by admin on Mon Mar 31 22:13:48 GMT 2025 , Edited by admin on Mon Mar 31 22:13:48 GMT 2025

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EPA CompTox

DTXSID00919668

Created by admin on Mon Mar 31 22:13:48 GMT 2025 , Edited by admin on Mon Mar 31 22:13:48 GMT 2025

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FDA UNII

HB5369FC39

Created by admin on Mon Mar 31 22:13:48 GMT 2025 , Edited by admin on Mon Mar 31 22:13:48 GMT 2025

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L-649923

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