Ro-40-6890

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H14N8O5S2
Molecular Weight	438.442
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=RIBNLVJVYUATJJ-WRGDFVOVSA-N

InChI=1S/C14H14N8O5S2/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)/b20-7-/t8-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H14N8O5S2
Molecular Weight	438.442
Charge	0
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 19:35:23 GMT 2025` Edited by `admin` on `Wed Apr 02 19:35:23 GMT 2025`
Record UNII	B4A3RZQ8N3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ro 40-6890

Preferred Name

English

Ro-40-6890

Code

English

Ro-406890

Code

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-, [6R-[6?,7?(Z)]]-

Systematic Name

English

(6R,7R)-7-[[(2Z)-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-carboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

B4A3RZQ8N3

Created by admin on Wed Apr 02 19:35:23 GMT 2025 , Edited by admin on Wed Apr 02 19:35:23 GMT 2025

PRIMARY

CAS

72889-61-3

Created by admin on Wed Apr 02 19:35:23 GMT 2025 , Edited by admin on Wed Apr 02 19:35:23 GMT 2025

PRIMARY

PUBCHEM

6336466

Created by admin on Wed Apr 02 19:35:23 GMT 2025 , Edited by admin on Wed Apr 02 19:35:23 GMT 2025

PRIMARY

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Comments:

Prevotella, Porphyromonas, Peptostreptococcus, Fusobacterium and Clostridium spp. were susceptible to Ro 40-6890, with few exceptions. Due to its lack of activity against the major pathogens of the Bacteroides fragilis group, Ro 40-6890 does not promise to be of major use in the treatment of infections caused by anaerobes.

Amount: