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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18N3O4S2.Na
Molecular Weight	439.484
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[Na+].CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C(=NS1)C4=CC=CC=C4

InChI

InChIKey=NKHGALILKMHPKL-SLINCCQESA-M

InChI=1S/C19H19N3O4S2.Na/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);/q;+1/p-1/t13-,14+,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C19H18N3O4S2
Molecular Weight	416.494
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:09:41 GMT 2025` Edited by `admin` on `Mon Mar 31 18:09:41 GMT 2025`
Record UNII	B9K2FB3W2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

SODIUM 6-(5-METHYL-3-PHENYL-ISOTHIAZOLE-4-CARBOXAMIDO)PENICILLINATE

Preferred 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-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(5-METHYL-3-PHENYL-4-ISOTHIAZOLECARBOXAMIDO)-7-OXO-, MONOSODIUM SALT

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082630

Created by admin on Mon Mar 31 18:09:41 GMT 2025 , Edited by admin on Mon Mar 31 18:09:41 GMT 2025

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FDA UNII

B9K2FB3W2X

Created by admin on Mon Mar 31 18:09:41 GMT 2025 , Edited by admin on Mon Mar 31 18:09:41 GMT 2025

PRIMARY

CAS

16216-98-1

Created by admin on Mon Mar 31 18:09:41 GMT 2025 , Edited by admin on Mon Mar 31 18:09:41 GMT 2025

PRIMARY

EPA CompTox

DTXSID90635380

Created by admin on Mon Mar 31 18:09:41 GMT 2025 , Edited by admin on Mon Mar 31 18:09:41 GMT 2025

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

PARENT -> SALT/SOLVATE

Amount: