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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24FN3O3.ClH
Molecular Weight 421.893
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-255

SMILES

Cl.[H][C@]12CN(C[C@@]1([H])NCCC2)C3=C(C)C4=C(C=C(C(O)=O)C(=O)N4C=C3F)C5CC5

InChI

InChIKey=UTKJBXOVMQXMOU-OZIFAFRSSA-N
InChI=1S/C21H24FN3O3.ClH/c1-11-18-14(12-4-5-12)7-15(21(27)28)20(26)25(18)9-16(22)19(11)24-8-13-3-2-6-23-17(13)10-24;/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28);1H/t13-,17+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABT-255
Common Name English
4H-QUINOLIZINE-3-CARBOXYLIC ACID, 1-CYCLOPROPYL-7-FLUORO-9-METHYL-8-((4AS,7AS)-OCTAHYDRO-6H-PYRROLO(3,4-B)PYRIDIN-6-YL)-4-OXO-, MONOHYDROCHLORIDE
Systematic Name English
4H-QUINOLIZINE-3-CARBOXYLIC ACID, 1-CYCLOPROPYL-7-FLUORO-9-METHYL-8-(OCTAHYDRO-6H-PYRROLO(3,4-B)PYRIDIN-6-YL)-4-OXO-, MONOHYDROCHLORIDE, (4AS-CIS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50939412
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
PUBCHEM
9823540
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
CAS
181141-52-6
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY
FDA UNII
YA04O24J4T
Created by admin on Sat Dec 16 08:34:52 UTC 2023 , Edited by admin on Sat Dec 16 08:34:52 UTC 2023
PRIMARY