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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17ClF2N2O3
Molecular Weight 382.789
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2-CHLORO-4-FLUOROPHENYL)METHYL)-5-FLUORO-5,6,7,8-TETRAHYDRO-8-HYDROXY-8-(HYDROXYMETHYL)-5-QUINOLINECARBOXAMIDE, (5S,8S)-

SMILES

OC[C@]1(O)CC[C@@](F)(C(=O)NCC2=CC=C(F)C=C2Cl)C3=CC=CN=C13

InChI

InChIKey=MHWGKKJUCSBNRQ-MSOLQXFVSA-N
InChI=1S/C18H17ClF2N2O3/c19-14-8-12(20)4-3-11(14)9-23-16(25)18(21)6-5-17(26,10-24)15-13(18)2-1-7-22-15/h1-4,7-8,24,26H,5-6,9-10H2,(H,23,25)/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H17ClF2N2O3
Molecular Weight 382.789
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:17:36 GMT 2023
Edited
by admin
on Sat Dec 16 18:17:36 GMT 2023
Record UNII
SA59ME35VJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2-CHLORO-4-FLUOROPHENYL)METHYL)-5-FLUORO-5,6,7,8-TETRAHYDRO-8-HYDROXY-8-(HYDROXYMETHYL)-5-QUINOLINECARBOXAMIDE, (5S,8S)-
Systematic Name English
5-QUINOLINECARBOXAMIDE, N-((2-CHLORO-4-FLUOROPHENYL)METHYL)-5-FLUORO-5,6,7,8-TETRAHYDRO-8-HYDROXY-8-(HYDROXYMETHYL)-, (5S,8S)-
Systematic Name English
(5S,8S)-N-((2-CHLORO-4-FLUOROPHENYL)METHYL)-5-FLUORO-5,6,7,8-TETRAHYDRO-8-HYDROXY-8-(HYDROXYMETHYL)-5-QUINOLINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
SA59ME35VJ
Created by admin on Sat Dec 16 18:17:36 GMT 2023 , Edited by admin on Sat Dec 16 18:17:36 GMT 2023
PRIMARY
CAS
2244525-97-9
Created by admin on Sat Dec 16 18:17:36 GMT 2023 , Edited by admin on Sat Dec 16 18:17:36 GMT 2023
PRIMARY
PUBCHEM
142429390
Created by admin on Sat Dec 16 18:17:36 GMT 2023 , Edited by admin on Sat Dec 16 18:17:36 GMT 2023
PRIMARY