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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 of PNU-248686A

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

Approval Year

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)