Ro-40-6890 sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H13N8O5S2.Na
Molecular Weight	460.423
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CN=[N+]=[N-])=C(N2C1=O)C([O-])=O)C3=CSC(N)=N3

InChI

InChIKey=HZQKCIONPQFSNZ-BZHOPHKNSA-M

InChI=1S/C14H14N8O5S2.Na/c1-27-20-7(6-4-29-14(15)18-6)10(23)19-8-11(24)22-9(13(25)26)5(2-17-21-16)3-28-12(8)22;/h4,8,12H,2-3H2,1H3,(H2,15,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-7-;/t8-,12-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C14H13N8O5S2
Molecular Weight	437.434
Charge	-1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:56:43 GMT 2025` Edited by `admin` on `Wed Apr 02 20:56:43 GMT 2025`
Record UNII	JZW7W84LJX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ro-40-6890 sodium

Common Name

English

Ro 40-6890 sodium

Preferred Name

English

Sodium,(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-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-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, [6R-[6?,7?(Z)]]-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, (6R,7R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5488530

Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025

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CAS

72889-62-4

Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025

PRIMARY

FDA UNII

JZW7W84LJX

Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025

PRIMARY

Related Record Type Details


					B4A3RZQ8N3

Ro-40-6890

PARENT -> SALT/SOLVATE

Amount: