RO-25-6833

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17F3N6O6S2
Molecular Weight	546.5
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=CS1)C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(\C=C4/CCN(CC(F)(F)F)C4=O)=C(N3C2=O)C(O)=O

InChI

InChIKey=NOAJGZYUGGBORE-SUVYSZLLSA-N

InChI=1S/C19H17F3N6O6S2/c20-19(21,22)6-27-2-1-7(14(27)30)3-8-4-35-16-11(15(31)28(16)12(8)17(32)33)25-13(29)10(26-34)9-5-36-18(23)24-9/h3,5,11,16,34H,1-2,4,6H2,(H2,23,24)(H,25,29)(H,32,33)/b7-3+,26-10-/t11-,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

RO-25-6833

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-((E)-(2-OXO-1-(2,2,2-TRIFLUOROETHYL)-3-PYRROLIDINYLIDENE)METHYL)-, (6R,7R)-

Systematic Name

English

RO 25-6833

Code

English

(6S,7S)-7-((2-(2-AZANYL-1,3-THIAZOL-4-YL)-2-HYDROXYIMINO-ETHANOYL)AMINO)-8-OXIDANYLIDENE-3-((2-OXIDANYLIDENE-1-(2,2,2-TRIS(FLUORANYL)ETHYL)PYRROLIDIN-3-YLIDENE)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

161672-76-0

Created by admin on Sat Dec 16 16:33:18 GMT 2023 , Edited by admin on Sat Dec 16 16:33:18 GMT 2023

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FDA UNII

Z4IB8G7270

Created by admin on Sat Dec 16 16:33:18 GMT 2023 , Edited by admin on Sat Dec 16 16:33:18 GMT 2023

PRIMARY

EPA CompTox

DTXSID401031329

Created by admin on Sat Dec 16 16:33:18 GMT 2023 , Edited by admin on Sat Dec 16 16:33:18 GMT 2023

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PUBCHEM

9578062

Created by admin on Sat Dec 16 16:33:18 GMT 2023 , Edited by admin on Sat Dec 16 16:33:18 GMT 2023

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SUBSTANCE RECORD


					Z4IB8G7270

RO-25-6833