6-(5-METHYL-3-PHENYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19N3O4S2
Molecular Weight	417.502
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(5-METHYL-3-PHENYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN

Structure Search

SMILES

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

InChI

InChIKey=ADTGRVVRAVKFFV-JKIFEVAISA-N

InChI=1S/C19H19N3O4S2/c1-9-11(12(21-28-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)27-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H19N3O4S2
Molecular Weight	417.502
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 14:50:14 GMT 2023` Edited by `admin` on `Sat Dec 16 14:50:14 GMT 2023`
Record UNII	NAV3V4A3LS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(5-METHYL-3-PHENYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

6-(5-METHYL-3-PHENYLISOTHIAZOLE-4-CARBOXAMIDO)PENICILLIN

Common Name

English

Code System Code Type Description

FDA UNII

NAV3V4A3LS

Created by admin on Sat Dec 16 14:50:15 GMT 2023 , Edited by admin on Sat Dec 16 14:50:15 GMT 2023

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CAS

727349-17-9

Created by admin on Sat Dec 16 14:50:15 GMT 2023 , Edited by admin on Sat Dec 16 14:50:15 GMT 2023

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PUBCHEM

133082631

Created by admin on Sat Dec 16 14:50:15 GMT 2023 , Edited by admin on Sat Dec 16 14:50:15 GMT 2023

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Related Record Type Details


					B9K2FB3W2X

SODIUM 6-(5-METHYL-3-PHENYLISOTHIAZOLE-4-CARBOXAMIDO)PENICILLANATE

SALT/SOLVATE -> PARENT

Amount: