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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl2N3O6S
Molecular Weight 486.326
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-HYDROXYMETHYL DICLOXACILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(CO)ON=C3C4=C(Cl)C=CC=C4Cl)C(O)=O

InChI

InChIKey=BKFXQQUYRJTASJ-JKIFEVAISA-N
InChI=1S/C19H17Cl2N3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5'-HYDROXYMETHYL DICLOXACILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2,6-DICHLOROPHENYL)-5-(HYDROXYMETHYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Common Name English
(2S,5R,6R)-6-(((3-(2,6-DICHLOROPHENYL)-5-(HYDROXYMETHYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2,6-DICHLOROPHENYL)-5-(HYDROXYMETHYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
Code System Code Type Description
CAS
40125-80-2
Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023
PRIMARY
PUBCHEM
134687289
Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023
PRIMARY
FDA UNII
4RR998PRE6
Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023
PRIMARY