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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17ClNO3S.K.H2O
Molecular Weight 480.018
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PXL-770

SMILES

O.[K+].OC1=C(C=CC2=C1CCCC2)C3=C(Cl)SC4=C3C([O-])=C(C(=O)N4)C5=CC=CC=C5

InChI

InChIKey=HXVDSQUWUIVOKT-UHFFFAOYSA-M
InChI=1S/C23H18ClNO3S.K.H2O/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21;;/h1-3,7-8,10-11,26H,4-6,9H2,(H2,25,27,28);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H18ClNO3S
Molecular Weight 423.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula K
Molecular Weight 39.0983
Charge 1
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 Dec 16 14:56:51 GMT 2023
Edited
by admin
on Sat Dec 16 14:56:51 GMT 2023
Record UNII
414C1D1T0T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PXL-770
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 875822
Created by admin on Sat Dec 16 14:56:52 GMT 2023 , Edited by admin on Sat Dec 16 14:56:52 GMT 2023
FDA ORPHAN DRUG 898922
Created by admin on Sat Dec 16 14:56:52 GMT 2023 , Edited by admin on Sat Dec 16 14:56:52 GMT 2023
Code System Code Type Description
FDA UNII
414C1D1T0T
Created by admin on Sat Dec 16 14:56:52 GMT 2023 , Edited by admin on Sat Dec 16 14:56:52 GMT 2023
PRIMARY
PUBCHEM
164180694
Created by admin on Sat Dec 16 14:56:52 GMT 2023 , Edited by admin on Sat Dec 16 14:56:52 GMT 2023
PRIMARY
CAS
2422001-64-5
Created by admin on Sat Dec 16 14:56:51 GMT 2023 , Edited by admin on Sat Dec 16 14:56:51 GMT 2023
PRIMARY
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