5'-HYDROXYMETHYL DICLOXACILLIN

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

Structure Search

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)C3=C(CO)ON=C3C4=C(Cl)C=CC=C4Cl)C(=O)N2[C@H]1C(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

Molecular Formula	C19H17Cl2N3O6S
Molecular Weight	486.326
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 03:37:59 GMT 2025` Edited by `admin` on `Wed Apr 02 03:37:59 GMT 2025`
Record UNII	4RR998PRE6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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)-

Preferred Name

English

5'-HYDROXYMETHYL DICLOXACILLIN

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 Wed Apr 02 03:37:59 GMT 2025 , Edited by admin on Wed Apr 02 03:37:59 GMT 2025

PRIMARY

PUBCHEM

134687289

Created by admin on Wed Apr 02 03:37:59 GMT 2025 , Edited by admin on Wed Apr 02 03:37:59 GMT 2025

PRIMARY

FDA UNII

4RR998PRE6

Created by admin on Wed Apr 02 03:37:59 GMT 2025 , Edited by admin on Wed Apr 02 03:37:59 GMT 2025

PRIMARY

Related Record Type Details


					COF19H7WBK

DICLOXACILLIN

PARENT -> METABOLITE ACTIVE