6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)PENICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18ClN3O4S2
Molecular Weight	451.947
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)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=CC=C(Cl)C=C4

InChI

InChIKey=YBANJJPNNMVEMA-JKIFEVAISA-N

InChI=1S/C19H18ClN3O4S2/c1-8-11(12(22-29-8)9-4-6-10(20)7-5-9)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	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 `Tue Apr 01 22:45:50 GMT 2025` Edited by `admin` on `Tue Apr 01 22:45:50 GMT 2025`
Record UNII	6L3HFN9AJF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)PENICILLIN

Common Name

English

6-(3-P-CHLOROPHENYL-5-METHYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082723

Created by admin on Tue Apr 01 22:45:50 GMT 2025 , Edited by admin on Tue Apr 01 22:45:50 GMT 2025

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CAS

703394-55-2

Created by admin on Tue Apr 01 22:45:50 GMT 2025 , Edited by admin on Tue Apr 01 22:45:50 GMT 2025

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FDA UNII

6L3HFN9AJF

Created by admin on Tue Apr 01 22:45:50 GMT 2025 , Edited by admin on Tue Apr 01 22:45:50 GMT 2025

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Related Record Type Details


					3PLT9EUB31

SODIUM 6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO) PENICILLANATE

SALT/SOLVATE -> PARENT

Amount: