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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20ClF2N3O3S.ClH
Molecular Weight 492.367
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-639 HYDROCHLORIDE

SMILES

Cl.[H][C@]12CCCN1CCN(C2)C(=O)C3=CC(=C(F)C=C3Cl)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChIKey=KZRCYRFDOFTBHY-BTQNPOSSSA-N
InChI=1S/C20H20ClF2N3O3S.ClH/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26;/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2;1H/t13-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABT-639 HYDROCHLORIDE
Common Name English
BENZENESULFONAMIDE, 4-CHLORO-2-FLUORO-N-(2-FLUOROPHENYL)-5-(((8AR)-HEXAHYDROPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)CARBONYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
122180940
Created by admin on Sat Dec 16 08:19:33 UTC 2023 , Edited by admin on Sat Dec 16 08:19:33 UTC 2023
PRIMARY
FDA UNII
PNZ74XN2EM
Created by admin on Sat Dec 16 08:19:33 UTC 2023 , Edited by admin on Sat Dec 16 08:19:33 UTC 2023
PRIMARY
CAS
1235560-31-2
Created by admin on Sat Dec 16 08:19:33 UTC 2023 , Edited by admin on Sat Dec 16 08:19:33 UTC 2023
PRIMARY