PNU-248686A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18ClO5S2.Na
Molecular Weight	484.948
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].O[C@](CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(Cl)C=C3)C([O-])=O

InChI

InChIKey=LVIOQQOMTNEVKG-VZYDHVRKSA-M

InChI=1S/C22H19ClO5S2.Na/c23-18-10-6-16(7-11-18)17-8-12-20(13-9-17)30(27,28)15-22(26,21(24)25)14-29-19-4-2-1-3-5-19;/h1-13,26H,14-15H2,(H,24,25);/q;+1/p-1/t22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C22H18ClO5S2
Molecular Weight	461.958
Charge	-1
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 `Sat Dec 16 02:59:48 GMT 2023` Edited by `admin` on `Sat Dec 16 02:59:48 GMT 2023`
Record UNII	7JPZ5VRX35
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-248686A

Code

English

PNU248686A

Code

English

(2R)-2-(((4'-CHLORO-(1,1'-BIPHENYL)-4-YL)SULFONYL)METHYL)-2-HYDROXY-3-(PHENYLSULFANYL)PROPANOIC ACID SODIUM HYDRIDE

Systematic Name

English

PROPANOIC ACID, 3-((4'-CHLORO(1,1'-BIPHENYL)-4-YL)SULFONYL)-2-HYDROXY-2-((PHENYLTHIO)METHYL)-, SODIUM SALT (1:1), (2R)-

Systematic Name

English

SODIUM (2R)-3-((4'-CHLORO(1,1'-BIPHENYL)-4-YL)SULFONYL)-2-HYDROXY-2-((PHENYLTHIO)METHYL)PROPANOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

7JPZ5VRX35

Created by admin on Sat Dec 16 02:59:48 GMT 2023 , Edited by admin on Sat Dec 16 02:59:48 GMT 2023

PRIMARY

PUBCHEM

23693653

Created by admin on Sat Dec 16 02:59:48 GMT 2023 , Edited by admin on Sat Dec 16 02:59:48 GMT 2023

PRIMARY

CAS

341498-89-3

Created by admin on Sat Dec 16 02:59:48 GMT 2023 , Edited by admin on Sat Dec 16 02:59:48 GMT 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

(2S)-2-((4-(4-CHLOROPHENYL)PHENYL)SULFONYLMETHYL)-2-HYDROXY-3-PHENYLSULFANYL-PROPANOIC ACID; SODIUM HYDRIDE

Created by admin on Sat Dec 16 02:59:48 GMT 2023 , Edited by admin on Sat Dec 16 02:59:48 GMT 2023

PRIMARY

HY-19422 CAS:341498-89-3 (Synonyms PNU248686A; PNU 248686A)