Sodium 7-[2-(3-chloro-1,2-oxazol-5-yl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H13ClN7O5S2.Na
Molecular Weight	493.88
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 7-[2-(3-chloro-1,2-oxazol-5-yl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-

Structure Search

SMILES

[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)CC4=CC(Cl)=NO4)C([O-])=O

InChI

InChIKey=XQPMNRFOIDADDS-HTMVYDOJSA-M

InChI=1S/C15H14ClN7O5S2.Na/c1-22-15(18-20-21-22)30-5-6-4-29-13-10(12(25)23(13)11(6)14(26)27)17-9(24)3-7-2-8(16)19-28-7;/h2,10,13H,3-5H2,1H3,(H,17,24)(H,26,27);/q;+1/p-1/t10-,13-;/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	C15H13ClN7O5S2
Molecular Weight	470.891
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 10:09:32 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:32 GMT 2023`
Record UNII	MRA7PLL5C6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 7-[2-(3-chloro-1,2-oxazol-5-yl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3-chloro-5-isoxazolyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7R)-

Common Name

English

sodium (6R,7R)-7-[2-(3-chloro-1,2-oxazol-5-yl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(3-chloro-5-isoxazolyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, sodium salt (1:1), (6R,7R)-

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((3-CHLORO-5-ISOXAZOLYL)ACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, MONOSODIUM SALT, (6R-TRANS)-

Common Name

English

BK-218

Code

English

Code System Code Type Description

EPA CompTox

DTXSID50911430

Created by admin on Sat Dec 16 10:09:32 GMT 2023 , Edited by admin on Sat Dec 16 10:09:32 GMT 2023

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PUBCHEM

23666181

Created by admin on Sat Dec 16 10:09:32 GMT 2023 , Edited by admin on Sat Dec 16 10:09:32 GMT 2023

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CAS

110008-56-5

Created by admin on Sat Dec 16 10:09:32 GMT 2023 , Edited by admin on Sat Dec 16 10:09:32 GMT 2023

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FDA UNII

MRA7PLL5C6

Created by admin on Sat Dec 16 10:09:32 GMT 2023 , Edited by admin on Sat Dec 16 10:09:32 GMT 2023

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