SODIUM 6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H15ClN3O5S2.Na.H2O
Molecular Weight	481.906
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN MONOHYDRATE

Structure Search

SMILES

O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)ON=C3C4=C(Cl)SC=C4)C([O-])=O

InChI

InChIKey=QNSGUTGKJZUNJW-CSAKRTPUSA-M

InChI=1S/C17H16ClN3O5S2.Na.H2O/c1-6-8(9(20-26-6)7-4-5-27-12(7)18)13(22)19-10-14(23)21-11(16(24)25)17(2,3)28-15(10)21;;/h4-5,10-11,15H,1-3H3,(H,19,22)(H,24,25);;1H2/q;+1;/p-1/t10-,11+,15-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C17H16ClN3O5S2
Molecular Weight	441.909
Charge	0
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 15:24:07 GMT 2023` Edited by `admin` on `Fri Dec 15 15:24:07 GMT 2023`
Record UNII	HMQ9G7L75M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN MONOHYDRATE

Common Name

English

SODIUM 6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLINATE MONOHYDRATE

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(3-(2-CHLORO-3-THIENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDO)-3,3-DIMETHYL-7-OXO-, MONOSODIUM SALT, MONOHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

HMQ9G7L75M

Created by admin on Fri Dec 15 15:24:07 GMT 2023 , Edited by admin on Fri Dec 15 15:24:07 GMT 2023

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CAS

23255-07-4

Created by admin on Fri Dec 15 15:24:07 GMT 2023 , Edited by admin on Fri Dec 15 15:24:07 GMT 2023

PRIMARY

PUBCHEM

133082694

Created by admin on Fri Dec 15 15:24:07 GMT 2023 , Edited by admin on Fri Dec 15 15:24:07 GMT 2023

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6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN

PARENT -> SALT/SOLVATE

Amount: