6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17Cl2N3O4S2
Molecular Weight	486.392
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)SN=C3C4=C(Cl)C=CC=C4Cl)C(O)=O

InChI

InChIKey=HHTWSKYIGCRJIW-JKIFEVAISA-N

InChI=1S/C19H17Cl2N3O4S2/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	C19H17Cl2N3O4S2
Molecular Weight	486.392
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 `Sat Dec 16 15:05:21 UTC 2023` Edited by `admin` on `Sat Dec 16 15:05:21 UTC 2023`
Record UNII	87L73AES5V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN

Common Name

English

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

Systematic Name

English

(2S,5R,6R)-6-(((3-(2,6-DICHLOROPHENYL)-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

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082241

Created by admin on Sat Dec 16 15:05:21 UTC 2023 , Edited by admin on Sat Dec 16 15:05:21 UTC 2023

PRIMARY

FDA UNII

87L73AES5V

Created by admin on Sat Dec 16 15:05:21 UTC 2023 , Edited by admin on Sat Dec 16 15:05:21 UTC 2023

PRIMARY

CAS

754122-61-7

Created by admin on Sat Dec 16 15:05:21 UTC 2023 , Edited by admin on Sat Dec 16 15:05:21 UTC 2023

PRIMARY

Related Record Type Details


					J87M8ZMY3E

SODIUM 6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLANATE

SALT/SOLVATE -> PARENT

Amount: