SODIUM 6-(3-(O-CHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18ClN3O4S2.Na
Molecular Weight	474.937
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 6-(3-(O-CHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLINATE

Structure Search

SMILES

[NaH].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)SN=C3C4=C(Cl)C=CC=C4)C(O)=O

InChI

InChIKey=JZKPCGPDSIQITQ-VICXVTCVSA-N

InChI=1S/C19H18ClN3O4S2.Na.H/c1-8-11(12(22-29-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)28-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;/t13-,14+,17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	0
Count

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

Molecular Formula	C19H18ClN3O4S2
Molecular Weight	451.947
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 `Fri Dec 15 15:19:05 GMT 2023` Edited by `admin` on `Fri Dec 15 15:19:05 GMT 2023`
Record UNII	R4U6GY7NGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 6-(3-(O-CHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLINATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60724654

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

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CAS

16188-11-7

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

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FDA UNII

R4U6GY7NGJ

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

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