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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26ClN3O.H2O4S
Molecular Weight 433.95
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYCHLOROQUINE SULFATE, (S)-

SMILES

OS(O)(=O)=O.CCN(CCO)CCC[C@H](C)NC1=CC=NC2=C1C=CC(Cl)=C2

InChI

InChIKey=JCBIVZZPXRZKTI-UQKRIMTDSA-N
InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H26ClN3O
Molecular Weight 335.872
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of HIV-1 replication by hydroxychloroquine: mechanism of action and comparison with zidovudine.
1996 Nov-Dec
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007 Jan
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:29 GMT 2023
Record UNII
CP6SX95ATD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYCHLOROQUINE SULFATE, (S)-
Common Name English
(S)-2-((4-((7-CHLORO-4-QUINOLYL)AMINO)PENTYL)ETHYLAMINO)ETHANOL SULFATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
CP6SX95ATD
Created by admin on Sat Dec 16 18:11:29 GMT 2023 , Edited by admin on Sat Dec 16 18:11:29 GMT 2023
PRIMARY
PUBCHEM
73416235
Created by admin on Sat Dec 16 18:11:29 GMT 2023 , Edited by admin on Sat Dec 16 18:11:29 GMT 2023
PRIMARY
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