SODIUM BENZYLPENICILLOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O5S.Na.H
Molecular Weight	374.387
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Na+].[H][C@]1(N[C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)CC2=CC=CC=C2)C([O-])=O

InChI

InChIKey=UFLWEQBVKFKCSB-GRMSKOJTSA-M

InChI=1S/C16H20N2O5S.Na/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23);/q;+1/p-1/t11-,12-,13+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C16H18N2O5S
Molecular Weight	350.39
Charge	-2
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 05:10:18 GMT 2023` Edited by `admin` on `Sat Dec 16 05:10:18 GMT 2023`
Record UNII	8P3C5MWQ7W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM BENZYLPENICILLOATE

Common Name

English

2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-5,5-DIMETHYL-.ALPHA.-((2-PHENYLACETYL)AMINO)-, SODIUM SALT (1:1)

Common Name

English

2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-5,5-DIMETHYL-.ALPHA.-((PHENYLACETYL)AMINO)-, SODIUM SALT, (2R-(2.ALPHA.(R*),4.BETA.))-

Systematic Name

English

SODIUM BENZYL PENICILLOATE

Common Name

English

Code System Code Type Description

CAS

16349-25-0