POTASSIUM 6-(3'-METHOXY-5'-PHENYL-ISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18N3O5S2.K
Molecular Weight	471.592
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of POTASSIUM 6-(3'-METHOXY-5'-PHENYL-ISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLINATE

Structure Search

SMILES

[K+].COC1=NSC(=C1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C4=CC=CC=C4

InChI

InChIKey=PAXXTEFPISGEOK-QYNMIKMPSA-M

InChI=1S/C19H19N3O5S2.K/c1-19(2)13(18(25)26)22-16(24)11(17(22)28-19)20-14(23)10-12(29-21-15(10)27-3)9-7-5-4-6-8-9;/h4-8,11,13,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t11-,13+,17-;/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	C19H18N3O5S2
Molecular Weight	432.493
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 23:20:51 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:51 GMT 2025`
Record UNII	C3O1G14LR1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(3'-METHOXY-5'-PHENYLISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLANIC ACID POTASSIUM SALT

Preferred Name

English

POTASSIUM 6-(3'-METHOXY-5'-PHENYL-ISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLINATE

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(3-METHOXY-5-PHENYL-4-ISOTHIAZOLECARBOXAMIDO)-3,3-DIMETHYL-7-OXO-, MONOPOTASSIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

C3O1G14LR1

Created by admin on Mon Mar 31 23:20:51 GMT 2025 , Edited by admin on Mon Mar 31 23:20:51 GMT 2025

PRIMARY

CAS

18196-81-1

Created by admin on Mon Mar 31 23:20:51 GMT 2025 , Edited by admin on Mon Mar 31 23:20:51 GMT 2025

PRIMARY

PUBCHEM

117587638

Created by admin on Mon Mar 31 23:20:51 GMT 2025 , Edited by admin on Mon Mar 31 23:20:51 GMT 2025

PRIMARY

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6-(3'-METHOXY-5'-PHENYLISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLANIC ACID

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