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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17ClFN3O4S2
Molecular Weight	469.937
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NS1)C4=C(F)C=CC=C4Cl

InChI

InChIKey=OERRDIBZPNVOMX-JKIFEVAISA-N

InChI=1S/C19H17ClFN3O4S2/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:05:34 GMT 2025` Edited by `admin` on `Tue Apr 01 22:05:34 GMT 2025`
Record UNII	096MUO1WIY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

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-, (2S,5R,6R)-

Preferred Name

English

Code System Code Type Description

FDA UNII

096MUO1WIY

Created by admin on Tue Apr 01 22:05:34 GMT 2025 , Edited by admin on Tue Apr 01 22:05:34 GMT 2025

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CAS

713479-55-1

Created by admin on Tue Apr 01 22:05:34 GMT 2025 , Edited by admin on Tue Apr 01 22:05:34 GMT 2025

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