SQ-33600

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H21FNO5P.2Na
Molecular Weight	487.3682
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC(C)C1=C(C#CP([O-])(=O)C[C@@H](O)CC([O-])=O)N(C2=C1C=CC=C2)C3=CC=C(F)C=C3

InChI

InChIKey=FXHKSTYWSZZOBF-NTEVMMBTSA-L

InChI=1S/C23H23FNO5P.2Na/c1-15(2)23-19-5-3-4-6-20(19)25(17-9-7-16(24)8-10-17)21(23)11-12-31(29,30)14-18(26)13-22(27)28;;/h3-10,15,18,26H,13-14H2,1-2H3,(H,27,28)(H,29,30);;/q;2*+1/p-2/t18-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C23H21FNO5P
Molecular Weight	441.3887
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
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 `Fri Dec 15 15:37:37 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:37 UTC 2023`
Record UNII	3KF8M81W01
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SQ-33600

Code

English

BUTANOIC ACID, 4-((2-(1-(4-FLUOROPHENYL)-3-(1-METHYLETHYL)-1H-INDOL-2-YL)ETHYNYL)HYDROXYPHOSPHINYL)-3-HYDROXY-, SODIUM SALT (1:2), (3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

3KF8M81W01

Created by admin on Fri Dec 15 15:37:37 UTC 2023 , Edited by admin on Fri Dec 15 15:37:37 UTC 2023

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EPA CompTox

DTXSID00928371

Created by admin on Fri Dec 15 15:37:37 UTC 2023 , Edited by admin on Fri Dec 15 15:37:37 UTC 2023

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CAS

133983-25-2

Created by admin on Fri Dec 15 15:37:37 UTC 2023 , Edited by admin on Fri Dec 15 15:37:37 UTC 2023

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PUBCHEM

131696

Created by admin on Fri Dec 15 15:37:37 UTC 2023 , Edited by admin on Fri Dec 15 15:37:37 UTC 2023

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SQ-33600 FREE ACID

PARENT -> SALT/SOLVATE