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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31F3N8O8S2
Molecular Weight 764.752
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RO-23-9424

SMILES

[H][C@]12SCC(COC(=O)C3=CN(CCF)C4=C(F)C(N5CCN(C)CC5)=C(F)C=C4C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C6=CSC(N)=N6)C(O)=O

InChI

InChIKey=IKYGJSBKPPIKJK-JDKVAZDPSA-N
InChI=1S/C31H31F3N8O8S2/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47)/b38-20-/t21-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H31F3N8O8S2
Molecular Weight 764.752
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:39:22 GMT 2023
Edited
by admin
on Sat Dec 16 05:39:22 GMT 2023
Record UNII
LAL7R1U4BO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-23-9424
Common 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-((((6,8-DIFLUORO-1-(2-FLUOROETHYL)-1,4-DIHYDRO-7-(4-METHYL-1-PIPERAZINYL)-4-OXO-3-QUINOLINYL)CARBONYL)OXY)METHYL)-8-OXO-, (6R,7R)-
Common Name English
Code System Code Type Description
FDA UNII
LAL7R1U4BO
Created by admin on Sat Dec 16 05:39:22 GMT 2023 , Edited by admin on Sat Dec 16 05:39:22 GMT 2023
PRIMARY
CAS
115622-58-7
Created by admin on Sat Dec 16 05:39:22 GMT 2023 , Edited by admin on Sat Dec 16 05:39:22 GMT 2023
PRIMARY
PUBCHEM
5486700
Created by admin on Sat Dec 16 05:39:22 GMT 2023 , Edited by admin on Sat Dec 16 05:39:22 GMT 2023
PRIMARY
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