POTASSIUM 6-(ISOTHIAZOL-3'-YLACETAMIDO)PENICILLINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H14N3O4S2.K
Molecular Weight	379.496
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of POTASSIUM 6-(ISOTHIAZOL-3'-YLACETAMIDO)PENICILLINATE

Structure Search

SMILES

[K+].CC1(C)S[C@@H]2[C@H](NC(=O)CC3=NSC=C3)C(=O)N2[C@H]1C([O-])=O

InChI

InChIKey=YOUYNJORKGAABJ-GITWGATASA-M

InChI=1S/C13H15N3O4S2.K/c1-13(2)9(12(19)20)16-10(18)8(11(16)22-13)14-7(17)5-6-3-4-21-15-6;/h3-4,8-9,11H,5H2,1-2H3,(H,14,17)(H,19,20);/q;+1/p-1/t8-,9+,11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C13H14N3O4S2
Molecular Weight	340.398
Charge	-1
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 `Mon Mar 31 17:57:48 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:48 GMT 2025`
Record UNII	22C2TGS7ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POTASSIUM 6-(ISOTHIAZOL-3'-YLACETAMIDO)PENICILLINATE

Common Name

English

6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLINATE POTASSIUM SALT

Preferred Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2-(3-ISOTHIAZOLYL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-, MONOPOTASSIUM SALT

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((3-ISOTHIAZOLYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, MONOPOTASSIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

22C2TGS7ND

Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025

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CAS

16171-82-7

Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025

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PUBCHEM

117587640

Created by admin on Mon Mar 31 17:57:48 GMT 2025 , Edited by admin on Mon Mar 31 17:57:48 GMT 2025

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6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLANIC ACID

PARENT -> SALT/SOLVATE