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Details

Stereochemistry ACHIRAL
Molecular Formula C28H42N3S
Molecular Weight 452.718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of PPA-904 Cation

SMILES

CCCCN(CCCC)C1=CC2=[S+]C3=C(C=CC(=C3)N(CCCC)CCCC)N=C2C=C1

InChI

InChIKey=CEDYGBVPEGWDRP-UHFFFAOYSA-N
InChI=1S/C28H42N3S/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4/h13-16,21-22H,5-12,17-20H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C28H42N3S
Molecular Weight 452.718
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 Wed Apr 02 19:22:01 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:01 GMT 2025
Record UNII
N2KYV42A8Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PPA-904 Cation
Code English
PPA904 cation
Preferred Name English
PS-42 cation
Common Name English
Phenothiazin-5-ium, 3,7-bis(dibutylamino)
Systematic Name English
PS42 cation
Code English
Code System Code Type Description
CAS
748763-10-2
Created by admin on Wed Apr 02 19:22:01 GMT 2025 , Edited by admin on Wed Apr 02 19:22:01 GMT 2025
PRIMARY
PUBCHEM
11465163
Created by admin on Wed Apr 02 19:22:01 GMT 2025 , Edited by admin on Wed Apr 02 19:22:01 GMT 2025
PRIMARY
FDA UNII
N2KYV42A8Q
Created by admin on Wed Apr 02 19:22:01 GMT 2025 , Edited by admin on Wed Apr 02 19:22:01 GMT 2025
PRIMARY
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