Sodium penicillanate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C8H10NO3S.Na
Molecular Weight	223.225
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)C(C)(C)S2

InChI

InChIKey=LVCJBUWIZQQMSU-IBTYICNHSA-M

InChI=1S/C8H11NO3S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C8H10NO3S
Molecular Weight	200.235
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:33 UTC 2023` Edited by `admin` on `Sat Dec 16 19:56:33 UTC 2023`
Record UNII	GN32JS43ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium penicillanate

Common Name

English

Penicillanic Acid Sodium Salt

Common Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, sodium salt

Systematic Name

English

sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, sodium salt, (2S-cis)-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, sodium salt, (2S,5R)-

Systematic Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

GN32JS43ND

Created by admin on Sat Dec 16 19:56:33 UTC 2023 , Edited by admin on Sat Dec 16 19:56:33 UTC 2023

PRIMARY

PUBCHEM

23714631

Created by admin on Sat Dec 16 19:56:33 UTC 2023 , Edited by admin on Sat Dec 16 19:56:33 UTC 2023

PRIMARY

CAS

4027-62-7

Created by admin on Sat Dec 16 19:56:33 UTC 2023 , Edited by admin on Sat Dec 16 19:56:33 UTC 2023

PRIMARY

Related Record Type Details


					PIS09H0QIX

PENICILLANIC ACID

PARENT -> SALT/SOLVATE

Amount: