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Details

Stereochemistry RACEMIC
Molecular Formula C19H18ClNOS.C6H8O7
Molecular Weight 535.9958
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 3-CHLORO-9-(1-METHYLPIPERIDYLIDENE-4)THIOXANTHENE-10-OXIDE CITRATE

SMILES

CN1CCC(=C2c3ccccc3S(=O)c4cc(ccc42)Cl)CC1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChIKey=OTOXNEBSBMVQHG-UHFFFAOYSA-N
InChI=1S/C19H18ClNOS.C6H8O7/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)23(22)18-12-14(20)6-7-16(18)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,12H,8-11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H18ClNOS
Molecular Weight 343.872
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:22:00 UTC 2021
Edited
by admin
on Sat Jun 26 06:22:00 UTC 2021
Record UNII
ZDE79E4NJU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-9-(1-METHYLPIPERIDYLIDENE-4)THIOXANTHENE-10-OXIDE CITRATE
Systematic Name English
PIPERIDINE, 4-(3-CHLORO-10-OXIDO-9H-THIOXANTHEN-9-YLIDENE)-1-METHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
3-CHLORO-9-(1-METHYLPIPERIDYLIDENE-4)THIOXANTHENE-10-OXIDE DIHYDROGEN CITRATE
Systematic Name English
Code System Code Type Description
CAS
23239-84-1
Created by admin on Sat Jun 26 06:22:00 UTC 2021 , Edited by admin on Sat Jun 26 06:22:00 UTC 2021
PRIMARY
PUBCHEM
137321719
Created by admin on Sat Jun 26 06:22:00 UTC 2021 , Edited by admin on Sat Jun 26 06:22:00 UTC 2021
PRIMARY
FDA UNII
ZDE79E4NJU
Created by admin on Sat Jun 26 06:22:00 UTC 2021 , Edited by admin on Sat Jun 26 06:22:00 UTC 2021
PRIMARY
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