U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H32F2N4O8
Molecular Weight 626.6046
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCB-3681

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(F)=C(OCC3(O)CCN(CC3)C4=C(F)C=C5C(=O)C(=CN(C6CC6)C5=C4)C(O)=O)C=C2

InChI

InChIKey=YEDRNPDLVCNIAV-FQEVSTJZSA-N
InChI=1S/C31H32F2N4O8/c1-17(38)34-13-20-14-37(30(42)45-20)19-4-5-27(24(33)10-19)44-16-31(43)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20,43H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)/t20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MCB-3681
Common Name English
7-(4-((4-((5S)-5-(ACETAMIDOMETHYL)-2-OXO-OXAZOLIDIN-3-YL)-2-FLUORO-PHENOXY)METHYL)-4-HYDROXY-1-PIPERIDYL)-1-CYCLOPROPYL-6-FLUORO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID
Systematic Name English
3-QUINOLINECARBOXYLIC ACID, 7-(4-((4-((5S)-5-((ACETYLAMINO)METHYL)-2-OXO-3-OXAZOLIDINYL)-2-FLUOROPHENOXY)METHYL)-4-HYDROXY-1-PIPERIDINYL)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
6BMP8F2J00
Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023
PRIMARY
PUBCHEM
11273606
Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023
PRIMARY
CAS
790704-42-6
Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023
PRIMARY