SODIUM 6-(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLANATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H16ClFN3O4S2.Na.H2O
Molecular Weight	509.934
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 6-(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLANATE MONOHYDRATE

Structure Search

SMILES

O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)SN=C3C4=C(Cl)C=CC=C4F)C([O-])=O

InChI

InChIKey=HEDGNAMEUZTLNI-VICXVTCVSA-M

InChI=1S/C19H17ClFN3O4S2.Na.H2O/c1-7-10(12(23-30-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)29-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C19H17ClFN3O4S2
Molecular Weight	469.937
Charge	0
Count

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

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:05:19 GMT 2023` Edited by `admin` on `Fri Dec 15 15:05:19 GMT 2023`
Record UNII	MAO4EAG6B9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 6-(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLANATE MONOHYDRATE

Systematic Name

English

SODIUM 6-(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIATE MONOHYDRATE

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, MONOSODIUM SALT, MONOHYDRATE, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

23319-49-5

Created by admin on Fri Dec 15 15:05:19 GMT 2023 , Edited by admin on Fri Dec 15 15:05:19 GMT 2023

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EPA CompTox

DTXSID70725096

Created by admin on Fri Dec 15 15:05:19 GMT 2023 , Edited by admin on Fri Dec 15 15:05:19 GMT 2023

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PUBCHEM

127258019

Created by admin on Fri Dec 15 15:05:19 GMT 2023 , Edited by admin on Fri Dec 15 15:05:19 GMT 2023

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FDA UNII

MAO4EAG6B9

Created by admin on Fri Dec 15 15:05:19 GMT 2023 , Edited by admin on Fri Dec 15 15:05:19 GMT 2023

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6-(3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN

PARENT -> SALT/SOLVATE